 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_B3LYPDBJ-def2SVPDr.in
 Output=05_alphapinene_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/05_alphapinene_STD/Gau-11336.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11338.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=05_alphapinene_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0486018588 Hartrees.
 Nuclear repulsion after empirical dispersion term =      568.6174202710 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.36D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636896046 LenY=  5636774501
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.446282242072    
 DIIS: error= 2.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.446282242072     IErMin= 1 ErrMin= 2.32D-03
 ErrMax= 2.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-03 BMatP= 6.46D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.243 Goal=   None    Shift=    0.000
 GapD=    0.243 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.96D-02 MaxDP=2.52D+00              OVMax= 1.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.59D-02    CP:  1.50D+00
 E= -390.451774488068     Delta-E=       -0.005492245996 Rises=F Damp=F
 DIIS: error= 2.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.451774488068     IErMin= 2 ErrMin= 2.58D-04
 ErrMax= 2.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-05 BMatP= 6.46D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.58D-03
 Coeff-Com: -0.258D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.257D-02 0.100D+01
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=8.58D-04 MaxDP=1.13D-01 DE=-5.49D-03 OVMax= 3.21D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.18D-04    CP:  1.52D+00  1.04D+00
 E= -390.451744897064     Delta-E=        0.000029591004 Rises=F Damp=F
 DIIS: error= 3.48D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.451774488068     IErMin= 2 ErrMin= 2.58D-04
 ErrMax= 3.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-04 BMatP= 6.12D-05
 IDIUse=3 WtCom= 3.49D-01 WtEn= 6.51D-01
 Coeff-Com: -0.113D-01 0.573D+00 0.438D+00
 Coeff-En:   0.000D+00 0.581D+00 0.419D+00
 Coeff:     -0.395D-02 0.578D+00 0.426D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.64D-04 MaxDP=1.19D-02 DE= 2.96D-05 OVMax= 1.98D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.00D-04    CP:  1.52D+00  1.04D+00  6.29D-01
 E= -390.451851433571     Delta-E=       -0.000106536506 Rises=F Damp=F
 DIIS: error= 3.97D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.451851433571     IErMin= 4 ErrMin= 3.97D-05
 ErrMax= 3.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-06 BMatP= 6.12D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.482D-02 0.164D+00 0.153D+00 0.688D+00
 Coeff:     -0.482D-02 0.164D+00 0.153D+00 0.688D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.72D-05 MaxDP=1.65D-03 DE=-1.07D-04 OVMax= 7.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.52D+00  1.04D+00  6.65D-01  7.97D-01
 E= -390.451852266759     Delta-E=       -0.000000833189 Rises=F Damp=F
 DIIS: error= 2.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.451852266759     IErMin= 5 ErrMin= 2.41D-05
 ErrMax= 2.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-07 BMatP= 1.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-02 0.218D-01 0.312D-01 0.408D+00 0.540D+00
 Coeff:     -0.142D-02 0.218D-01 0.312D-01 0.408D+00 0.540D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=7.30D-04 DE=-8.33D-07 OVMax= 4.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.04D-06    CP:  1.52D+00  1.04D+00  6.66D-01  8.18D-01  8.08D-01
 E= -390.451852902572     Delta-E=       -0.000000635813 Rises=F Damp=F
 DIIS: error= 8.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.451852902572     IErMin= 6 ErrMin= 8.30D-06
 ErrMax= 8.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-08 BMatP= 6.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.528D-03 0.243D-02 0.805D-02 0.190D+00 0.318D+00 0.482D+00
 Coeff:     -0.528D-03 0.243D-02 0.805D-02 0.190D+00 0.318D+00 0.482D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.47D-06 MaxDP=1.05D-04 DE=-6.36D-07 OVMax= 1.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.79D-06    CP:  1.52D+00  1.04D+00  6.65D-01  8.36D-01  7.74D-01
                    CP:  7.03D-01
 E= -390.451852959361     Delta-E=       -0.000000056789 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.451852959361     IErMin= 7 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-09 BMatP= 5.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03-0.123D-02 0.186D-03 0.463D-01 0.998D-01 0.246D+00
 Coeff-Com:  0.609D+00
 Coeff:     -0.103D-03-0.123D-02 0.186D-03 0.463D-01 0.998D-01 0.246D+00
 Coeff:      0.609D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=7.31D-07 MaxDP=6.43D-05 DE=-5.68D-08 OVMax= 2.06D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.25D-07    CP:  1.52D+00  1.04D+00  6.64D-01  8.39D-01  7.73D-01
                    CP:  7.05D-01  8.40D-01
 E= -390.451852962817     Delta-E=       -0.000000003456 Rises=F Damp=F
 DIIS: error= 2.28D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.451852962817     IErMin= 8 ErrMin= 2.28D-07
 ErrMax= 2.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-11 BMatP= 3.46D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.513D-06-0.481D-03-0.507D-03 0.221D-02 0.121D-01 0.438D-01
 Coeff-Com:  0.182D+00 0.761D+00
 Coeff:     -0.513D-06-0.481D-03-0.507D-03 0.221D-02 0.121D-01 0.438D-01
 Coeff:      0.182D+00 0.761D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.63D-07 MaxDP=5.51D-06 DE=-3.46D-09 OVMax= 2.34D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.07D-07    CP:  1.52D+00  1.04D+00  6.65D-01  8.38D-01  7.76D-01
                    CP:  7.10D-01  8.43D-01  8.31D-01
 E= -390.451852962891     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 8.24D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.451852962891     IErMin= 9 ErrMin= 8.24D-08
 ErrMax= 8.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-12 BMatP= 6.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-05-0.198D-03-0.249D-03-0.308D-03 0.293D-02 0.137D-01
 Coeff-Com:  0.685D-01 0.372D+00 0.544D+00
 Coeff:      0.283D-05-0.198D-03-0.249D-03-0.308D-03 0.293D-02 0.137D-01
 Coeff:      0.685D-01 0.372D+00 0.544D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.45D-08 MaxDP=1.07D-06 DE=-7.40D-11 OVMax= 5.13D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.51D-08    CP:  1.52D+00  1.04D+00  6.65D-01  8.38D-01  7.76D-01
                    CP:  7.09D-01  8.43D-01  8.47D-01  8.12D-01
 E= -390.451852962892     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 1.68D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.451852962892     IErMin=10 ErrMin= 1.68D-08
 ErrMax= 1.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-13 BMatP= 7.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.388D-04-0.549D-04-0.332D-03 0.161D-03 0.187D-02
 Coeff-Com:  0.125D-01 0.889D-01 0.218D+00 0.679D+00
 Coeff:      0.120D-05-0.388D-04-0.549D-04-0.332D-03 0.161D-03 0.187D-02
 Coeff:      0.125D-01 0.889D-01 0.218D+00 0.679D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=9.27D-09 MaxDP=8.91D-07 DE=-4.55D-13 OVMax= 1.25D-07

 SCF Done:  E(RB3LYP) =  -390.451852963     A.U. after   10 cycles
            NFock= 10  Conv=0.93D-08     -V/T= 2.0125
 KE= 3.856254617292D+02 PE=-2.038296790780D+03 EE= 6.936020558172D+02
 Leave Link  502 at Fri Jul 16 13:12:52 2021, MaxMem=  5637144576 cpu:            1322.5 elap:             165.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.47387977D+02

 Leave Link  801 at Fri Jul 16 13:12:53 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 4.66D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 3.66D-01 1.47D-01.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 6.71D-02 4.91D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 2.35D-03 7.95D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 2.36D-04 2.80D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 2.03D-05 1.37D-03.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 4.78D-07 2.14D-04.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 7.95D-09 2.65D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.10D-10 2.76D-06.
      8 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 9.17D-13 1.67D-07.
      1 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 9.52D-15 1.26D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.122840D+03
      2 -0.572682D+00  0.119706D+03
      3  0.440514D+00  0.482368D+01  0.106976D+03
 Isotropic polarizability for W=    0.093368      116.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.124687D+02 -0.401389D+02  0.689809D+00
      2   0.536177D+01  0.208098D+02  0.812791D+01
      3  -0.178305D+02  0.193291D+02 -0.881772D+01
      4  -0.404958D+02  0.363249D+02  0.274106D+02
      5   0.136151D+02  0.247576D+02 -0.198054D+02
      6   0.102731D+02  0.189655D+02  0.684946D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.307068D+00  0.295911D+01  0.521639D+01
      2   0.416806D+01  0.161642D+02 -0.331790D+01
      3   0.815323D+01 -0.244365D+02 -0.151796D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.265302D+01  0.108376D+02  0.186442D+02
      2  -0.129253D+02  0.171376D+02 -0.197493D+01
      3  -0.356842D+00 -0.309631D+02 -0.144845D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.170940D+00 -0.204275D+01 -0.105649D+01
      2  -0.204275D+01 -0.345892D+01  0.282136D+01
      3  -0.105649D+01  0.282136D+01  0.430743D+01
 OR G Eigenvalues:    -4.9537    -0.0698     5.7010  Iso=    -0.2259
 Eigenvectors:
   (1)   0.336231   0.910909  -0.239149
   (2)   0.899331  -0.235174   0.368643
   (3)  -0.279559   0.339023   0.898282
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2259 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =      -93.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.43D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 6.96D-02 3.01D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 1.32D-03 5.18D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 1.82D-05 3.92D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 1.14D-07 4.02D-05.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 7.31D-10 3.27D-06.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 2.17D-12 1.74D-07.
      8 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 3.67D-15 6.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   218 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 3.35D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 3.35D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.96D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.122840D+03 -0.572682D+00  0.440514D+00
      2  -0.572682D+00  0.119706D+03  0.482368D+01
      3   0.440514D+00  0.482368D+01  0.106976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.307068D+00  0.295911D+01  0.521639D+01
      2   0.416806D+01  0.161642D+02 -0.331790D+01
      3   0.815323D+01 -0.244365D+02 -0.151796D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.124687D+02 -0.401389D+02  0.689809D+00
      2   0.536177D+01  0.208098D+02  0.812791D+01
      3  -0.178305D+02  0.193291D+02 -0.881772D+01
      4  -0.404958D+02  0.363249D+02  0.274106D+02
      5   0.136151D+02  0.247576D+02 -0.198054D+02
      6   0.102731D+02  0.189655D+02  0.684946D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374168D+01  0.311110D+00 -0.166410D+01  0.231150D+01 -0.106580D+01
      2   0.311110D+00 -0.106604D+01 -0.262240D+01 -0.106580D+01  0.163328D+02
      3  -0.166410D+01 -0.262240D+01 -0.224576D+01 -0.203913D+01  0.325388D+01
                 6             7             8             9            10 
      1  -0.203913D+01 -0.126369D+01 -0.328911D+01 -0.185128D+01  0.100918D+01
      2   0.325388D+01 -0.328911D+01  0.209568D+01  0.379091D+01  0.493972D+00
      3   0.288785D+01 -0.185128D+01  0.379091D+01  0.547565D+01  0.399686D+00
                11            12            13            14            15 
      1   0.493972D+00  0.399686D+00  0.129514D+01  0.362342D+00  0.211966D+01
      2   0.113907D+01  0.341299D+01  0.362342D+00 -0.119700D+02  0.469856D+00
      3   0.341299D+01  0.287212D+01  0.211966D+01  0.469856D+00 -0.139182D+01
                16            17            18            19            20 
      1   0.103873D+01  0.318760D+01  0.290219D+01  0.248397D+01 -0.298059D+01
      2   0.318760D+01  0.230103D+01 -0.401544D+01 -0.298059D+01  0.155123D+01
      3   0.290219D+01 -0.401544D+01 -0.588298D+01 -0.594643D+00  0.118790D+01
                21            22            23            24            25 
      1  -0.594643D+00 -0.304501D+01  0.179732D+01  0.139451D+01 -0.120124D+01
      2   0.118790D+01  0.179732D+01 -0.164156D+02 -0.436760D+01  0.771035D+00
      3   0.764667D+00  0.139451D+01 -0.436760D+01 -0.399385D+01  0.152015D+01
                26            27            28            29            30 
      1   0.771035D+00  0.152015D+01 -0.517467D+01 -0.293366D+00 -0.116132D+01
      2  -0.434328D+01 -0.400772D+01 -0.293366D+00 -0.698184D+00 -0.280118D+01
      3  -0.400772D+01 -0.450766D+01 -0.116132D+01 -0.280118D+01 -0.262925D+01
                31            32            33            34            35 
      1  -0.195201D+01 -0.294130D+01 -0.278661D+01 -0.132472D+01 -0.294589D+01
      2  -0.294130D+01  0.103626D+02 -0.258618D+00 -0.294589D+01 -0.712754D+00
      3  -0.278661D+01 -0.258618D+00  0.174247D+01 -0.449725D+01  0.403770D+01
                36            37            38            39            40 
      1  -0.449725D+01  0.493330D+01  0.190762D+01 -0.266287D+01 -0.211076D+01
      2   0.403770D+01  0.190762D+01  0.956261D+00 -0.971737D+00 -0.474943D-01
      3   0.486526D+01 -0.266287D+01 -0.971737D+00  0.361382D+01 -0.202784D+01
                41            42            43            44            45 
      1  -0.474943D-01 -0.202784D+01 -0.610562D+01 -0.124282D+01  0.256874D+01
      2   0.429579D+01  0.401892D+01 -0.124282D+01  0.343017D+01  0.337750D+00
      3   0.401892D+01 -0.167268D+01  0.256874D+01  0.337750D+00  0.541479D+00
                46            47            48            49            50 
      1  -0.411493D+01  0.126029D+01  0.501755D+01  0.353786D+01 -0.165521D+01
      2   0.126029D+01 -0.150848D+01  0.658031D+00 -0.165521D+01 -0.796425D+01
      3   0.501755D+01  0.658031D+00 -0.184385D+01  0.116568D+01  0.170046D+01
                51            52            53            54            55 
      1   0.116568D+01  0.797713D+01  0.118671D+01 -0.157428D+01  0.280359D+01
      2   0.170046D+01  0.118671D+01  0.258794D+01  0.149079D+01 -0.395285D+01
      3   0.108207D+01 -0.157428D+01  0.149079D+01 -0.262330D+01 -0.147975D+01
                56            57            58            59            60 
      1  -0.395285D+01 -0.147975D+01 -0.365260D+01  0.482437D+01 -0.176358D+01
      2   0.454002D+01 -0.151590D+01  0.482437D+01  0.353169D+01 -0.262310D+01
      3  -0.151590D+01 -0.156972D+01 -0.176358D+01 -0.262310D+01  0.306401D+01
                61            62            63            64            65 
      1  -0.168354D+01 -0.178959D+01 -0.173075D+01  0.409507D+00 -0.994024D+00
      2  -0.178959D+01 -0.331056D+01  0.167114D+01 -0.994024D+00 -0.237192D+01
      3  -0.173075D+01  0.167114D+01  0.339671D+01  0.357433D+01  0.388317D+01
                66            67            68            69            70 
      1   0.357433D+01  0.554693D+00 -0.192144D+01  0.464252D+01  0.319036D+01
      2   0.388317D+01 -0.192144D+01  0.121293D+01 -0.105076D+01  0.294185D+01
      3   0.890904D+00  0.464252D+01 -0.105076D+01 -0.828415D+00  0.112410D+01
                71            72            73            74            75 
      1   0.294185D+01  0.112410D+01  0.801237D+01  0.266456D+01  0.338114D+01
      2  -0.655973D+00 -0.145615D+01  0.266456D+01  0.131342D+01  0.136553D+01
      3  -0.145615D+01 -0.428399D+00  0.338114D+01  0.136553D+01  0.231741D+01
                76            77            78            79            80 
      1   0.201512D+01  0.139939D+01  0.933849D+00  0.340284D+01  0.168049D+01
      2   0.139939D+01  0.212023D+01  0.153169D+01  0.168049D+01  0.206214D+01
      3   0.933849D+00  0.153169D+01  0.130782D+01  0.235182D+01  0.884582D+00
                81            82            83            84            85 
      1   0.235182D+01  0.884664D+00  0.146231D+01 -0.381938D+00  0.144829D+01
      2   0.884582D+00  0.146231D+01  0.212629D+01 -0.296776D+00  0.110266D+01
      3   0.141345D+01 -0.381938D+00 -0.296776D+00 -0.149938D+00 -0.314859D+00
                86            87            88            89            90 
      1   0.110266D+01 -0.314859D+00 -0.810007D+00 -0.742505D+00 -0.124537D+00
      2   0.137905D+02 -0.912726D+00 -0.742505D+00 -0.380147D+01  0.218356D+01
      3  -0.912726D+00  0.100559D+01 -0.124537D+00  0.218356D+01 -0.714614D-01
                91            92            93            94            95 
      1  -0.130073D+01  0.747484D+00  0.143182D+01  0.217718D+00 -0.723803D+00
      2   0.747484D+00 -0.872084D+00 -0.123028D+01 -0.723803D+00  0.371379D+01
      3   0.143182D+01 -0.123028D+01 -0.185004D+01 -0.534500D+00  0.209108D+01
                96            97            98            99           100 
      1  -0.534500D+00  0.164974D+01 -0.151462D+01 -0.177194D+01  0.894879D+01
      2   0.209108D+01 -0.151462D+01  0.370544D+01  0.450416D+01 -0.798019D-01
      3   0.173871D+01 -0.177194D+01  0.450416D+01  0.834446D+01  0.215910D+01
               101           102           103           104           105 
      1  -0.798019D-01  0.215910D+01  0.299528D+01  0.585049D+00  0.669439D+00
      2   0.796674D+00  0.110915D+00  0.585049D+00  0.327408D+00  0.488397D+00
      3   0.110915D+00  0.158701D+01  0.669439D+00  0.488397D+00  0.455957D+00
               106           107           108           109           110 
      1   0.384160D+01 -0.153524D+00  0.220452D+01  0.241446D+01 -0.937209D+00
      2  -0.153524D+00  0.807456D+00 -0.226701D+00 -0.937209D+00  0.398804D+00
      3   0.220452D+01 -0.226701D+00  0.112120D+01 -0.166460D+01  0.997050D+00
               111           112           113           114           115 
      1  -0.166460D+01 -0.824363D+00  0.183608D+01  0.110172D+01 -0.377179D+01
      2   0.997050D+00  0.183608D+01 -0.334747D+01 -0.161307D+01  0.304488D+01
      3   0.173732D+01  0.110172D+01 -0.161307D+01 -0.163223D+01  0.369467D+01
               116           117           118           119           120 
      1   0.304488D+01  0.369467D+01 -0.363857D+00 -0.407953D+00  0.510623D+00
      2  -0.332245D+01 -0.369322D+01 -0.407953D+00 -0.195970D+01  0.432000D+00
      3  -0.369322D+01 -0.735031D+01  0.510623D+00  0.432000D+00 -0.104015D+00
               121           122           123           124           125 
      1  -0.199674D+01  0.206873D+01  0.311327D+00  0.968504D+00 -0.165277D+00
      2   0.206873D+01 -0.106518D+02  0.175200D+01 -0.165277D+00  0.318776D+01
      3   0.311327D+00  0.175200D+01 -0.142943D+01  0.771112D+00 -0.236385D+01
               126           127           128           129           130 
      1   0.771112D+00  0.385767D+00 -0.104506D+01 -0.766016D-01 -0.164473D+01
      2  -0.236385D+01 -0.104506D+01 -0.327697D+00  0.111942D+00  0.777255D+00
      3   0.573526D+00 -0.766016D-01  0.111942D+00 -0.182996D+00  0.413261D+00
               131           132           133           134           135 
      1   0.777255D+00  0.413261D+00 -0.191824D-01  0.511429D+00  0.996745D-01
      2  -0.773025D+01 -0.332327D+01  0.511429D+00 -0.283655D+01 -0.218744D+01
      3  -0.332327D+01 -0.217197D+01  0.996745D-01 -0.218744D+01 -0.229157D+01
               136           137           138           139           140 
      1  -0.652503D+00 -0.241438D+01 -0.448726D+01 -0.325312D+01  0.965038D+00
      2  -0.241438D+01  0.488764D+00  0.241456D+00  0.965038D+00  0.664655D+01
      3  -0.448726D+01  0.241456D+00  0.126497D+01  0.342956D+00 -0.268821D+01
               141           142           143           144           145 
      1   0.342956D+00 -0.477691D+01  0.100858D+00  0.152170D+01  0.191282D+01
      2  -0.268821D+01  0.100858D+00 -0.151944D+01 -0.183050D+01 -0.281507D+01
      3  -0.195625D+01  0.152170D+01 -0.183050D+01  0.189163D+01 -0.392691D+01
               146           147           148           149           150 
      1  -0.281507D+01 -0.392691D+01 -0.445431D+01  0.164596D+01 -0.272956D+00
      2   0.127500D+00 -0.258210D+00  0.164596D+01  0.740934D+01 -0.101556D+01
      3  -0.258210D+00  0.145546D+01 -0.272956D+00 -0.101556D+01 -0.194696D+01
               151           152           153           154           155 
      1  -0.510206D+01 -0.190812D+00  0.224758D+01 -0.684320D+01  0.442034D+01
      2  -0.190812D+00 -0.130514D+01 -0.156014D+01  0.442034D+01 -0.414072D+01
      3   0.224758D+01 -0.156014D+01  0.467000D+01  0.705875D-01  0.291925D+00
               156           157           158           159           160 
      1   0.705875D-01  0.328013D+01 -0.352435D+01  0.395251D+00  0.286093D+00
      2   0.291925D+00 -0.352435D+01  0.436561D+01  0.838891D-01  0.294810D+00
      3  -0.669123D+00  0.395251D+00  0.838891D-01  0.428406D+00 -0.927643D+00
               161           162           163           164           165 
      1   0.294810D+00 -0.927643D+00 -0.410995D+01 -0.343059D+00 -0.330225D+01
      2   0.261350D+00  0.925068D+00 -0.343059D+00 -0.586776D+00 -0.171714D+00
      3   0.925068D+00 -0.239406D+00 -0.330225D+01 -0.171714D+00 -0.418449D+01
               166           167           168           169           170 
      1  -0.839210D+00 -0.664050D+00 -0.679231D+00 -0.269578D+01 -0.280965D+00
      2  -0.664050D+00 -0.453738D+00 -0.738619D+00 -0.280965D+00 -0.538177D+00
      3  -0.679231D+00 -0.738619D+00 -0.694049D+00 -0.338194D+01 -0.700707D-01
               171           172           173           174           175 
      1  -0.338194D+01  0.317365D+01  0.160798D+01 -0.270990D+01  0.121063D+01
      2  -0.700707D-01  0.160798D+01  0.191292D+01 -0.211074D+01  0.146381D+01
      3  -0.635747D+01 -0.270990D+01 -0.211074D+01  0.340904D+01 -0.162620D+01
               176           177           178           179           180 
      1   0.146381D+01 -0.162620D+01 -0.137735D+01 -0.954456D+00  0.155797D+01
      2   0.238785D+01 -0.198052D+01 -0.954456D+00 -0.111116D+01  0.179331D+01
      3  -0.198052D+01  0.257459D+01  0.155797D+01  0.179331D+01 -0.411537D+01
               181           182           183           184           185 
      1   0.465184D+01  0.103680D+01  0.151850D+01  0.158418D+01  0.598423D+00
      2   0.103680D+01  0.932670D+00 -0.271207D+00  0.598423D+00 -0.129132D+00
      3   0.151850D+01 -0.271207D+00  0.308455D+01 -0.317979D-01  0.594302D+00
               186           187           188           189           190 
      1  -0.317979D-01  0.174432D+01  0.928288D-01  0.161488D+01 -0.398765D+00
      2   0.594302D+00  0.928288D-01  0.571355D+00  0.550006D+00 -0.848894D+00
      3   0.133267D+01  0.161488D+01  0.550006D+00  0.217400D+01  0.942018D+00
               191           192           193           194           195 
      1  -0.848894D+00  0.942018D+00 -0.106257D+01 -0.109063D+01  0.407749D+00
      2  -0.402675D+00  0.129799D+00 -0.109063D+01 -0.840695D+01  0.333917D+01
      3   0.129799D+00 -0.490741D+00  0.407749D+00  0.333917D+01 -0.267974D+01
               196           197           198           199           200 
      1   0.384545D+00  0.831683D-01 -0.346661D+00 -0.472591D+01  0.842392D+00
      2   0.831683D-01  0.108279D+01 -0.122899D+01  0.842392D+00 -0.107986D+01
      3  -0.346661D+00 -0.122899D+01  0.990300D+00  0.368556D+01 -0.332532D+00
               201           202           203           204           205 
      1   0.368556D+01  0.195158D+01 -0.105071D+01 -0.125845D+01  0.246835D+01
      2  -0.332532D+00 -0.105071D+01  0.236533D+00  0.120671D+01 -0.445097D+00
      3  -0.404895D+01 -0.125845D+01  0.120671D+01  0.206683D+01 -0.272948D+01
               206           207           208           209           210 
      1  -0.445097D+00 -0.272948D+01 -0.114005D+01  0.519473D+00 -0.118272D+01
      2   0.742256D+00  0.707182D+00  0.519473D+00 -0.338019D-01 -0.238274D-01
      3   0.707182D+00  0.395633D+01 -0.118272D+01 -0.238274D-01 -0.151063D+01
               211           212           213           214           215 
      1   0.118661D+01 -0.315421D+00  0.136231D+00 -0.237608D+01 -0.494919D+00
      2  -0.315421D+00 -0.322153D+00 -0.771234D+00 -0.494919D+00 -0.109190D+01
      3   0.136231D+00 -0.771234D+00  0.799168D+00 -0.249720D+01  0.284003D+00
               216           217           218           219           220 
      1  -0.249720D+01 -0.859752D+01  0.674769D+00  0.221957D+01  0.355610D+01
      2   0.284003D+00  0.674769D+00 -0.959324D+00 -0.257991D+00 -0.133828D+01
      3  -0.677502D+01  0.221957D+01 -0.257991D+00 -0.148042D+01 -0.594727D+00
               221           222           223           224           225 
      1  -0.133828D+01 -0.594727D+00  0.462579D+01 -0.110542D-01 -0.210646D+01
      2   0.988832D-01  0.563707D+00 -0.110542D-01  0.918250D+00  0.409702D+00
      3   0.563707D+00  0.904003D+00 -0.210646D+01  0.409702D+00  0.135809D+01
               226           227           228           229           230 
      1  -0.860134D+00 -0.836846D+00  0.384384D+00 -0.230939D+01 -0.308791D+01
      2  -0.836846D+00 -0.276381D+00  0.417786D-01 -0.308791D+01 -0.944119D+01
      3   0.384384D+00  0.417786D-01 -0.373312D-01 -0.104275D+00  0.249225D+00
               231           232           233           234 
      1  -0.104275D+00  0.930002D+00  0.324987D+00 -0.639689D+00
      2   0.249225D+00  0.324987D+00  0.795244D+00 -0.929663D+00
      3  -0.992744D+00 -0.639689D+00 -0.929663D+00 -0.129152D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.134704D+01  0.109224D+01  0.329808D+00  0.243003D+01  0.940549D+01
      2   0.236680D+01 -0.196922D+01 -0.262533D+01  0.579669D+00  0.966331D+01
      3  -0.328082D+01 -0.440459D+01  0.161098D+01  0.226017D+01 -0.446944D+02
                 6             7             8             9            10 
      1  -0.129982D+01  0.134926D+01  0.501577D+01  0.488094D+00 -0.772568D+00
      2   0.105397D+02 -0.929904D+01  0.144556D+02  0.158487D+02 -0.870943D+00
      3  -0.126209D+02  0.189426D+01 -0.966959D+01 -0.142977D+02  0.406666D+01
                11            12            13            14            15 
      1  -0.717343D+01 -0.398033D+01 -0.369565D+01 -0.174453D+02  0.498306D+00
      2   0.282927D+01  0.278688D+01  0.410351D+00 -0.487114D+01 -0.203378D+01
      3  -0.584219D+01 -0.343888D+01  0.378159D+01  0.976937D+01  0.613485D+01
                16            17            18            19            20 
      1  -0.599313D+01  0.178555D+02  0.141271D+02 -0.150306D+01 -0.194734D+01
      2  -0.728968D+00 -0.259630D+01 -0.544731D+01 -0.165707D+01  0.599686D+01
      3  -0.163552D+01  0.100130D+02  0.112715D+02  0.110098D+02 -0.740750D+01
                21            22            23            24            25 
      1  -0.253060D+00 -0.204088D+01 -0.119593D+02 -0.305127D+01 -0.263327D+01
      2   0.184129D+01  0.417195D+01 -0.110208D+02 -0.117628D+02 -0.563552D+01
      3  -0.448719D+01  0.259599D+01  0.438574D+02  0.139452D+02 -0.319057D+01
                26            27            28            29            30 
      1   0.504057D+01  0.247620D+01 -0.127872D+01 -0.598027D+01 -0.479795D+01
      2  -0.112176D+02 -0.168857D+02 -0.528508D+01 -0.919413D+01 -0.597468D+01
      3   0.136258D+02  0.116143D+02  0.109053D+02 -0.165082D+01  0.103831D+02
                31            32            33            34            35 
      1  -0.303449D+01 -0.666783D+01  0.218386D+01 -0.111049D+02  0.145261D+02
      2  -0.870607D+01 -0.262060D+01  0.407267D+01 -0.170410D+02  0.141230D+02
      3   0.148589D+02 -0.309240D+02  0.551444D+01  0.106543D+02  0.104165D+02
                36            37            38            39            40 
      1   0.985488D+01 -0.730716D+00  0.584880D+00  0.503381D+01 -0.440829D+01
      2   0.149408D+02  0.925491D+01  0.317785D+01  0.331246D+01 -0.320109D+01
      3  -0.433486D+01 -0.147358D+02 -0.823468D+01 -0.122204D+01  0.786120D+01
                41            42            43            44            45 
      1   0.110429D+01 -0.114474D+02  0.788726D+01  0.298123D+00  0.503392D+01
      2   0.243348D+01 -0.508950D+01 -0.990449D+01 -0.426166D+01  0.485344D+01
      3   0.209576D+01  0.319014D+01  0.528722D+01 -0.118451D+00 -0.674481D+01
                46            47            48            49            50 
      1   0.430670D+01 -0.416379D+00 -0.227309D+01 -0.892167D+00 -0.147780D+01
      2  -0.139050D+02 -0.315761D+01  0.677838D+01  0.108078D+01 -0.158380D+01
      3   0.128647D+02 -0.523055D+01 -0.168732D+01 -0.294872D+01 -0.160688D+02
                51            52            53            54            55 
      1  -0.200183D+01 -0.260230D+01  0.736329D+01 -0.296658D+01  0.282613D+01
      2  -0.802396D+00 -0.101950D+00 -0.335385D+01  0.667454D+01  0.282863D+01
      3   0.243583D+01 -0.796516D+01  0.232127D+01  0.517941D+01 -0.408154D+01
                56            57            58            59            60 
      1   0.236151D+01  0.647832D+01  0.293982D+01  0.410062D+01 -0.677351D+01
      2   0.178913D+01  0.445821D+01  0.159118D+01  0.269243D+01 -0.374691D+01
      3  -0.569999D+01 -0.362363D+01  0.390300D+01  0.123774D+02 -0.539612D+01
                61            62            63            64            65 
      1   0.455141D+01  0.439241D+00 -0.903605D+01 -0.270344D+01  0.288636D+01
      2  -0.232670D+01 -0.237371D+01 -0.505263D+01 -0.696365D+00 -0.414654D+01
      3  -0.518690D+01 -0.675849D+01 -0.120701D+01  0.275500D+01 -0.420606D+01
                66            67            68            69            70 
      1  -0.126831D+02  0.606884D+01 -0.190324D+01  0.747805D+01 -0.106989D+02
      2   0.103133D+02 -0.674779D+00 -0.433678D+01  0.144502D+02  0.321692D+01
      3   0.678983D+01 -0.192302D+01 -0.202647D+01 -0.166864D+01  0.511463D+01
                71            72            73            74            75 
      1   0.779499D+01  0.222930D+01 -0.205311D+01  0.304801D+00 -0.287546D+01
      2   0.901622D+01  0.437973D+01 -0.518282D+00  0.117571D+01  0.556989D+01
      3   0.492656D+00  0.115356D+01  0.539044D+01 -0.186382D+01  0.144962D+01
                76            77            78            79            80 
      1  -0.307387D+00 -0.642481D+00 -0.105942D+01 -0.188787D+01  0.260280D+01
      2  -0.196461D+00  0.292633D+01  0.281276D+01  0.670583D+00 -0.142095D+01
      3   0.124780D+01 -0.235178D+01 -0.162374D+01  0.132832D+01 -0.418832D+01
                81            82            83            84            85 
      1  -0.123525D+01  0.177158D+01  0.269148D+01  0.379428D-01  0.484067D+00
      2   0.109181D+01 -0.813891D+00 -0.341446D+00  0.145530D+01 -0.127044D+01
      3   0.143960D+01  0.211473D+01  0.138138D+01 -0.710658D+00  0.704959D+01
                86            87            88            89            90 
      1   0.133517D+02 -0.611269D+01  0.639190D+00 -0.777745D+01  0.250919D+01
      2   0.157832D+01  0.729084D+00 -0.555348D+00  0.753046D+00  0.339607D+00
      3  -0.573530D+01 -0.490800D+00 -0.272031D+01 -0.234595D+00 -0.198594D+01
                91            92            93            94            95 
      1  -0.317851D+01  0.183253D+01  0.411908D+01  0.350028D+00 -0.520575D+00
      2   0.228533D+01 -0.125670D+01 -0.106713D+01 -0.795915D+00  0.243968D+01
      3  -0.463881D+01  0.673420D+00  0.427192D+01  0.223265D+01 -0.433714D+01
                96            97            98            99           100 
      1  -0.277296D+01  0.341994D+01 -0.460570D+01 -0.175763D+02  0.386905D+01
      2   0.817991D+00 -0.542495D+01  0.285200D+01  0.435869D+01  0.776744D+01
      3  -0.278234D+01  0.793728D+01 -0.665406D+01 -0.749853D+01 -0.129478D+02
               101           102           103           104           105 
      1   0.883202D+00  0.256140D+01  0.832105D+00  0.122250D+01 -0.152048D+00
      2   0.288095D+00  0.774536D+01  0.200156D+01  0.149210D+01  0.207557D+01
      3  -0.518771D+01 -0.396684D+01 -0.354458D+01 -0.275001D+01 -0.242860D+01
               106           107           108           109           110 
      1   0.289578D+01  0.683617D+00  0.127197D+01 -0.263532D+01  0.179377D+01
      2   0.512816D+01  0.195527D-01  0.450509D+01 -0.330444D+01  0.256667D+01
      3  -0.529234D+01 -0.353759D+01 -0.222058D+01 -0.683512D+00 -0.193594D+01
               111           112           113           114           115 
      1   0.332700D+01  0.186820D+01 -0.100069D+01 -0.350598D+01  0.639806D+01
      2   0.541984D+01  0.280758D+01 -0.415570D+01 -0.475369D+01  0.699357D+01
      3  -0.127819D+01 -0.272617D+01  0.773782D+01  0.302401D+01 -0.222426D+01
               116           117           118           119           120 
      1  -0.459845D+01 -0.126057D+02  0.543651D+00  0.212513D+01 -0.431155D+00
      2  -0.935431D+01 -0.210386D+02  0.136608D+01  0.222430D+01  0.455438D+00
      3   0.559000D+01  0.538294D+01  0.225195D+01  0.575731D+01 -0.249439D+01
               121           122           123           124           125 
      1  -0.819741D+00  0.636554D+01 -0.535073D+01  0.161943D+01 -0.467701D+01
      2   0.126268D+01  0.493636D+01 -0.425405D+01  0.716230D+00 -0.584731D+01
      3  -0.537152D+00  0.297794D+02 -0.605881D+01 -0.200202D+01 -0.102431D+02
               126           127           128           129           130 
      1   0.184319D+01  0.123497D+01 -0.342315D+00 -0.149183D+00 -0.547453D+00
      2   0.200058D+01  0.973782D+00 -0.998040D+00  0.963291D+00 -0.290399D+01
      3   0.568587D+01 -0.591899D+00 -0.122538D+00 -0.185427D+00  0.574365D+01
               131           132           133           134           135 
      1   0.573745D+01 -0.230352D+01 -0.212513D+00  0.309216D+01 -0.900120D+00
      2   0.824366D+00  0.198997D+00 -0.228785D+01  0.330613D-01 -0.612255D+00
      3   0.397056D+00 -0.897878D-01  0.850716D+00  0.413461D+00  0.150051D+00
               136           137           138           139           140 
      1  -0.117137D+02  0.482664D+00  0.224678D+01  0.314910D+01  0.134689D+02
      2   0.116811D+02  0.507616D+01  0.113265D+02  0.651716D+01  0.139795D+01
      3  -0.353055D+01  0.370635D+00  0.509477D+01  0.668670D+01  0.908108D+01
               141           142           143           144           145 
      1  -0.123434D+02  0.955379D+00 -0.399964D+01 -0.294795D+01 -0.300861D+01
      2   0.145469D+01  0.669610D+01  0.319280D+01 -0.441566D+01  0.127863D+02
      3  -0.431253D+01  0.427837D+01 -0.263807D+01 -0.375892D+01 -0.142022D+02
               146           147           148           149           150 
      1   0.729372D-01  0.266222D+01 -0.702946D+00 -0.372034D+01 -0.389586D+01
      2  -0.978240D+00 -0.558379D+01 -0.297867D+01  0.275859D+01  0.560666D+01
      3   0.298657D+01  0.400043D+01  0.133109D+02  0.226543D+02 -0.247611D+01
               151           152           153           154           155 
      1   0.459347D+01  0.709422D+00  0.809466D+01 -0.125326D+01  0.626875D+00
      2  -0.151327D+02  0.387260D+01 -0.168731D+02 -0.126792D+01  0.826648D+00
      3   0.536183D+01 -0.301675D+01 -0.791459D+01 -0.734115D+01 -0.154048D+01
               156           157           158           159           160 
      1   0.271803D+01  0.419876D+00 -0.160125D+01 -0.315363D+01  0.138160D+01
      2   0.348278D+01  0.305342D+00 -0.106281D+01 -0.212530D+01  0.437662D-03
      3   0.249747D+00  0.405760D+01  0.841421D+00  0.672129D+00  0.593785D+00
               161           162           163           164           165 
      1  -0.397029D+00  0.398199D+00  0.377714D+01  0.405861D+01  0.415561D+01
      2  -0.849288D+00  0.126865D+00 -0.107554D+02 -0.171689D+01 -0.372554D+01
      3   0.124808D+01 -0.331132D+00 -0.336620D+01 -0.289384D+01 -0.232686D+01
               166           167           168           169           170 
      1   0.205436D+01  0.200781D+01  0.379682D+00  0.369200D+01  0.326602D+01
      2  -0.259379D+01 -0.103853D+01 -0.158901D+01 -0.730321D+01 -0.138802D+01
      3   0.485241D+00 -0.162181D+00 -0.499122D+00 -0.153983D+01 -0.176742D+01
               171           172           173           174           175 
      1   0.376691D+01 -0.161532D+01 -0.445483D+01  0.502205D+00 -0.256315D+01
      2  -0.308434D+01  0.944919D+01  0.364360D+01 -0.420994D+01  0.420142D+01
      3  -0.162630D+01  0.448075D+01  0.519996D+00 -0.247896D+01  0.401851D+01
               176           177           178           179           180 
      1  -0.367989D+01 -0.764109D-01  0.101289D+01  0.267294D+01 -0.525129D+00
      2   0.360523D+01 -0.398712D+01 -0.523660D+01 -0.316835D+01  0.386644D+01
      3   0.896808D+00 -0.196778D+01 -0.254096D+01 -0.270808D+00  0.218729D+01
               181           182           183           184           185 
      1   0.631014D+01  0.393724D+01  0.103869D+01  0.321614D+01  0.146298D+01
      2  -0.185390D+02 -0.441997D+01 -0.328089D+01 -0.585336D+01 -0.238953D+01
      3  -0.272834D+01 -0.153065D+01 -0.119269D+01  0.961266D+00 -0.315892D+00
               186           187           188           189           190 
      1   0.975527D+00  0.224964D+01  0.274880D+01  0.238191D+01 -0.402840D+00
      2  -0.478207D+00 -0.718049D+01 -0.103577D+01 -0.471919D+01 -0.805042D+00
      3   0.125938D+00 -0.723363D+00 -0.640784D+00 -0.587284D+00 -0.762908D+00
               191           192           193           194           195 
      1  -0.763642D+00 -0.616331D+00 -0.182239D+01 -0.160110D+02  0.947322D+00
      2   0.116238D+01 -0.311209D+00  0.280254D+01 -0.225175D+01  0.287920D+01
      3  -0.588646D+00 -0.582206D+00  0.294274D+01 -0.997659D+01  0.399346D+01
               196           197           198           199           200 
      1  -0.240196D-01  0.307968D+01 -0.166805D+01  0.561162D+01 -0.447413D+01
      2  -0.149735D+01  0.811577D+00 -0.505373D+00  0.599180D+01 -0.188075D+01
      3  -0.472799D+00  0.127451D+01 -0.112733D+01  0.451374D+01 -0.423865D+01
               201           202           203           204           205 
      1  -0.427466D+01 -0.300075D+01  0.238111D+01  0.314293D+01 -0.356839D+01
      2   0.236916D+00 -0.302696D+01  0.121515D-01 -0.127770D+01 -0.475807D+01
      3  -0.366356D+01 -0.163179D+01  0.188010D+01  0.252048D+01 -0.254568D+01
               206           207           208           209           210 
      1   0.375053D+01  0.500844D+01 -0.191855D+01  0.105343D+00 -0.129924D+01
      2   0.140726D+00 -0.340493D-01  0.272867D+01  0.842558D+00  0.415707D+01
      3   0.220524D+01  0.339981D+01  0.238107D+01 -0.112671D+01  0.105506D+01
               211           212           213           214           215 
      1  -0.919407D-01 -0.911890D+00  0.107552D+01 -0.153723D+01  0.408467D+01
      2   0.152589D+01  0.237666D+01 -0.341787D+01  0.195279D+01 -0.264373D+01
      3  -0.702882D+00 -0.692002D-01 -0.226021D+01  0.766016D+00 -0.384057D+01
               216           217           218           219           220 
      1  -0.868093D+01  0.239991D+01 -0.621097D+00 -0.145965D+01 -0.535389D+00
      2   0.207454D+02 -0.958544D+01  0.125804D+01  0.866251D+01  0.305460D+01
      3   0.411795D+01  0.122504D+02 -0.632645D+01 -0.351245D+01 -0.595061D+01
               221           222           223           224           225 
      1   0.826584D+00 -0.247698D+00 -0.216602D+01  0.112892D+01  0.754970D+00
      2  -0.218119D+01 -0.390832D+01  0.657878D+01 -0.128956D+01 -0.556026D+01
      3   0.258241D+01  0.232176D+01 -0.509282D+01  0.417547D+01  0.377508D+01
               226           227           228           229           230 
      1   0.769746D+00  0.333871D+00 -0.117698D+00  0.429460D+00  0.369545D+01
      2  -0.125561D+01 -0.386491D+00  0.130141D+01 -0.111175D+00 -0.162434D+01
      3  -0.180617D+01 -0.151018D+01 -0.464737D+00 -0.261112D+01 -0.248254D+02
               231           232           233           234 
      1  -0.462143D+01 -0.503645D+00 -0.245206D+00  0.313706D+00
      2   0.358915D+01  0.103910D+01  0.181714D+01  0.276764D+00
      3   0.101729D+01 -0.934155D+00  0.180260D+01 -0.172249D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.167106D+02  0.432911D+01 -0.249432D+01  0.585558D+01 -0.288017D+02
      2   0.115166D+02 -0.188488D+01  0.256562D+01  0.167956D+01  0.338505D+02
      3   0.519397D+01 -0.244423D+01 -0.713006D-01 -0.753514D+01 -0.504879D+01
      4  -0.757807D+01  0.669242D+00 -0.120314D+02 -0.519366D+01  0.513214D+02
      5  -0.176093D+02 -0.780103D+01 -0.586846D+01 -0.115122D+02  0.503316D+01
      6  -0.535532D+01 -0.830142D+01 -0.596918D+01 -0.458641D+01  0.718881D+01
                 6             7             8             9            10 
      1  -0.127529D+02 -0.471355D+01 -0.149533D+02 -0.188027D+02  0.309385D+01
      2   0.996325D+01  0.291490D+01  0.197124D+01  0.299163D+01  0.133233D+01
      3   0.278962D+01  0.179866D+01  0.129821D+02  0.158111D+02 -0.442618D+01
      4   0.470109D+01 -0.209820D+02  0.161910D+01  0.115606D+02 -0.192098D+01
      5   0.463592D+01 -0.531632D+01  0.746065D+01  0.922450D+01  0.258455D+01
      6   0.718064D+01 -0.340752D+01  0.115177D+02  0.580785D+01  0.129146D+01
                11            12            13            14            15 
      1  -0.532072D+01 -0.106077D+02  0.125692D+01  0.424462D+02  0.299742D+01
      2  -0.370221D+01  0.102289D+02 -0.595127D+01 -0.629043D+02  0.681942D+01
      3   0.902293D+01  0.378857D+00  0.469435D+01  0.204581D+02 -0.981684D+01
      4   0.350072D+01  0.422486D+01  0.830418D+01 -0.198244D+02  0.449874D+01
      5   0.131050D+01 -0.167384D+01  0.322295D+01  0.208973D+00  0.251298D+01
      6   0.160828D+02  0.133707D+02  0.700701D+01  0.529898D+01 -0.633015D+01
                16            17            18            19            20 
      1  -0.105174D+02 -0.733168D+00  0.214445D+02  0.170994D+02 -0.104784D+01
      2   0.614241D+01  0.232675D+02 -0.767110D+01 -0.136747D+02 -0.242873D+01
      3   0.437500D+01 -0.225343D+02 -0.137734D+02 -0.342469D+01  0.347658D+01
      4   0.421097D+01  0.856671D+01  0.406616D+01 -0.511015D+01  0.709194D+01
      5   0.500085D-01  0.565440D+01  0.636330D+01  0.159493D+01  0.825348D+01
      6   0.129331D+02 -0.210051D+02 -0.272835D+02 -0.280607D+01 -0.587929D+01
                21            22            23            24            25 
      1   0.430954D+01  0.128636D+01  0.123968D+02  0.114614D+02 -0.209801D+01
      2  -0.353110D+01 -0.273991D+01 -0.788904D+01 -0.246351D+01 -0.124926D+01
      3  -0.778440D+00  0.145355D+01 -0.450775D+01 -0.899786D+01  0.334727D+01
      4   0.581976D+01  0.307053D+01 -0.540249D+02 -0.157173D+02 -0.363316D-01
      5   0.604968D+01  0.518089D+01 -0.110622D+02 -0.101384D+02  0.134058D+02
      6  -0.747893D+00 -0.187940D+01 -0.795599D+01 -0.911834D+00 -0.109732D+01
                26            27            28            29            30 
      1   0.108283D+02  0.113218D+02 -0.356710D+02 -0.120989D+01 -0.158615D+02
      2  -0.101014D+02 -0.128115D+02  0.268419D+02 -0.657757D+01  0.996211D+01
      3  -0.726917D+00  0.148974D+01  0.882909D+01  0.778746D+01  0.589937D+01
      4  -0.160153D+02 -0.135527D+02 -0.184826D+01  0.139845D+01 -0.107603D+02
      5  -0.107990D+02 -0.137555D+02 -0.112870D+02 -0.148677D+02 -0.167695D+02
      6   0.397633D+01 -0.534157D+01  0.168021D+01  0.850037D+01  0.702955D+01
                31            32            33            34            35 
      1  -0.148805D+02  0.117620D+02 -0.173303D+02 -0.181658D+02 -0.217129D+02
      2   0.671419D+01 -0.258725D+02  0.167264D+02  0.651283D+01  0.261644D+02
      3   0.816628D+01  0.141105D+02  0.603926D+00  0.116530D+02 -0.445147D+01
      4  -0.508237D+01  0.402815D+02  0.219302D+01 -0.134236D+02  0.118133D+01
      5  -0.144729D+02 -0.415041D+01  0.105444D+02 -0.283188D+02  0.257855D+02
      6   0.245040D+01  0.125985D+02 -0.817011D+01  0.134076D+02 -0.182169D+02
                36            37            38            39            40 
      1  -0.144180D+02 -0.130997D+02 -0.400042D+01  0.128312D+01 -0.127849D+02
      2   0.107419D+02  0.979411D+01  0.337758D+01 -0.240184D+01  0.728449D+00
      3   0.367605D+01  0.330561D+01  0.622842D+00  0.111872D+01  0.120564D+02
      4   0.226351D+02  0.477706D+01  0.170057D+01  0.468653D+01  0.176412D+01
      5   0.314946D+02  0.439900D+01 -0.150933D+00 -0.791245D+00 -0.114129D+01
      6  -0.175084D+02  0.705149D+01  0.322402D+00  0.320976D+01  0.790726D-02
                41            42            43            44            45 
      1   0.204436D+02  0.371856D+01  0.951647D+01  0.112246D+02  0.882285D+00
      2  -0.117670D+02 -0.974539D+01 -0.285939D+01 -0.132371D+02  0.447834D+01
      3  -0.867670D+01  0.602683D+01 -0.665709D+01  0.201257D+01 -0.536062D+01
      4  -0.731337D+01 -0.138758D+01  0.893374D+01 -0.272086D+00  0.138476D+01
      5   0.136958D+01  0.514844D+01 -0.537137D+01  0.111622D+01 -0.549189D+00
      6  -0.130860D+02 -0.178261D+02 -0.757228D+00 -0.103999D+02  0.356929D+01
                46            47            48            49            50 
      1   0.133212D+01 -0.812903D+01 -0.137034D+02 -0.978837D+01 -0.402124D+01
      2  -0.764752D+01  0.192358D+01  0.107177D+02  0.807907D+01  0.321208D+01
      3   0.631540D+01  0.620546D+01  0.298571D+01  0.170929D+01  0.809160D+00
      4  -0.139298D+02  0.319042D+01 -0.919370D+01  0.498642D+01  0.184720D+02
      5  -0.168926D+02 -0.481831D+01  0.741926D+01  0.102490D+01 -0.600456D+01
      6  -0.100054D+02  0.652739D-01  0.182507D+01 -0.797700D+00 -0.418082D+01
                51            52            53            54            55 
      1  -0.516824D+01 -0.194553D+02 -0.806161D+01  0.959759D+01 -0.913649D+01
      2  -0.196366D+01  0.107348D+02  0.382721D+01 -0.526080D+01 -0.523132D+01
      3   0.713190D+01  0.872048D+01  0.423440D+01 -0.433679D+01  0.143678D+02
      4  -0.792479D+01 -0.840829D+01 -0.850000D+01  0.237035D+01  0.218421D+02
      5  -0.430577D+01  0.103556D+02 -0.623291D+00  0.433074D+01  0.933440D-01
      6   0.753503D+01  0.570670D+01 -0.262770D+00  0.241091D+01  0.201937D+01
                56            57            58            59            60 
      1   0.754936D+01  0.346339D+01  0.328703D+01 -0.127498D+02  0.285561D+01
      2   0.546160D+01 -0.103042D+02  0.432147D+01  0.933456D+01 -0.795964D+00
      3  -0.130110D+02  0.684078D+01 -0.760850D+01  0.341526D+01 -0.205964D+01
      4  -0.236590D+02  0.207084D+01 -0.216742D+02  0.632867D+01  0.318013D+01
      5   0.231190D+01  0.948275D+00 -0.156965D+01  0.244121D+01  0.352011D+00
      6  -0.100262D+02 -0.606016D+01 -0.602567D+01  0.364963D+01 -0.411040D+00
                61            62            63            64            65 
      1   0.739724D+00  0.602811D+01  0.139267D+01  0.757079D+01  0.795227D+01
      2  -0.534874D+01 -0.761499D+01  0.817280D+01  0.696576D+01  0.167126D+01
      3   0.460902D+01  0.158688D+01 -0.956547D+01 -0.145365D+02 -0.962353D+01
      4   0.470818D+01  0.494409D+01 -0.780210D+01 -0.458223D+01 -0.246778D+00
      5   0.307847D+01 -0.228549D+01 -0.145660D+01 -0.387269D+01  0.355243D+01
      6  -0.548781D+01  0.573970D+01  0.724967D+01  0.687329D+01  0.142412D+02
                66            67            68            69            70 
      1  -0.288839D+01  0.127402D+02 -0.291815D+01 -0.132247D+01  0.113508D+01
      2   0.150421D+02  0.417735D+01 -0.245860D+01 -0.191965D+01  0.111817D+02
      3  -0.121537D+02 -0.169176D+02  0.537676D+01  0.324212D+01 -0.123168D+02
      4   0.275067D+01  0.245138D+01 -0.287587D+01  0.878470D+01 -0.266053D+01
      5  -0.183600D+02  0.168085D+01  0.572033D+01 -0.139171D+02 -0.138175D+02
      6  -0.103909D+02  0.130904D+02 -0.524688D+01  0.557166D+01 -0.490857D+01
                71            72            73            74            75 
      1  -0.659197D+01 -0.442920D+01  0.352960D+02  0.996163D+01  0.109378D+02
      2   0.456417D+01 -0.115565D+01 -0.196255D+02 -0.460189D+01 -0.919407D+01
      3   0.202780D+01  0.558485D+01 -0.156705D+02 -0.535974D+01 -0.174372D+01
      4   0.499659D+01 -0.434368D+00  0.277601D+02  0.149804D+02  0.121411D+02
      5  -0.629002D+01 -0.525889D+01  0.240241D+02  0.949638D+01  0.167399D+02
      6  -0.122817D+00  0.116621D+01  0.815605D+01  0.520661D+01  0.589529D+01
                76            77            78            79            80 
      1   0.494337D+01  0.630168D+00 -0.507453D+00  0.115991D+02  0.323822D+01
      2  -0.735324D+00  0.241967D+01  0.535043D+00 -0.846305D+01  0.623520D+00
      3  -0.420805D+01 -0.304984D+01 -0.275893D-01 -0.313605D+01 -0.386174D+01
      4   0.135648D+02  0.125905D+02  0.891988D+01  0.138417D+02  0.128684D+02
      5   0.623240D+01  0.800590D+01  0.653913D+01  0.158092D+02  0.564938D+01
      6   0.506425D+01  0.663356D+01  0.570748D+01  0.622094D+01  0.508173D+01
                81            82            83            84            85 
      1   0.588158D+01 -0.161564D+01 -0.488183D+01  0.431386D+00 -0.204608D+01
      2  -0.584911D+01  0.727688D+01  0.124924D+02 -0.711143D+00  0.739105D+01
      3  -0.324642D-01 -0.566125D+01 -0.761062D+01  0.279757D+00 -0.534497D+01
      4   0.838493D+01  0.594793D+01  0.143721D+02 -0.158457D+01  0.786417D+01
      5   0.110803D+02 -0.309726D+00  0.399264D+00  0.216523D+01 -0.197811D+00
      6   0.521865D+01 -0.162642D+01 -0.133420D+01 -0.221266D+00 -0.521821D+00
                86            87            88            89            90 
      1  -0.472241D+02  0.244190D+01  0.148724D+01  0.123683D+02 -0.784810D+01
      2   0.845910D+02 -0.655374D+01 -0.218851D+01 -0.246346D+02  0.877318D+01
      3  -0.373669D+02  0.411184D+01  0.701268D+00  0.122663D+02 -0.925082D+00
      4   0.209026D+02 -0.211355D+01 -0.306601D+01 -0.616974D+01  0.230807D+01
      5   0.138455D+00  0.627461D+00  0.158067D+01  0.936831D+00 -0.150611D+01
      6  -0.590998D+01  0.816232D+01 -0.532421D+00  0.149473D+02 -0.218970D+01
                91            92            93            94            95 
      1  -0.249802D+01  0.373584D+01  0.552298D+01  0.181147D+01 -0.148922D+02
      2  -0.140974D+01 -0.195900D+01 -0.231455D+01 -0.171995D+01  0.159994D+02
      3   0.390776D+01 -0.177685D+01 -0.320844D+01 -0.915231D-01 -0.110720D+01
      4  -0.334864D+01  0.513000D+01  0.501307D+01  0.129094D+01  0.116684D+01
      5  -0.317562D+01  0.354388D+01  0.691766D+01  0.753617D+00 -0.958153D+00
      6   0.628128D+01 -0.702304D+01 -0.854607D+01 -0.355435D+01  0.115462D+02
                96            97            98            99           100 
      1  -0.866824D+01  0.746250D+01 -0.181463D+02 -0.278151D+02  0.692951D+02
      2   0.643125D+01 -0.155093D+01  0.718473D+01  0.195720D+01 -0.384595D+02
      3   0.223699D+01 -0.591157D+01  0.109615D+02  0.258579D+02 -0.308356D+02
      4  -0.128755D+01  0.345899D+01 -0.187915D+01 -0.212842D+01 -0.102440D+02
      5  -0.108553D+01  0.559956D+01 -0.305387D+01 -0.436031D+01  0.171308D+02
      6   0.133318D+02 -0.816401D+01  0.271785D+02  0.393943D+02 -0.532008D+01
               101           102           103           104           105 
      1   0.195999D+01  0.159502D+02  0.203810D+02  0.416602D+01  0.492566D+01
      2  -0.271439D+01 -0.967177D+01 -0.121290D+02 -0.130366D+01 -0.433716D+01
      3   0.754391D+00 -0.627845D+01 -0.825208D+01 -0.286237D+01 -0.588499D+00
      4   0.788577D+01 -0.205162D+01  0.510058D+01  0.311072D+01  0.280347D+01
      5   0.347706D+00  0.140667D+02  0.493408D+01  0.338653D+01  0.373867D+01
      6  -0.706065D-01 -0.461531D+01 -0.449139D+00 -0.100767D+01  0.773635D+00
               106           107           108           109           110 
      1   0.257871D+02  0.936576D+00  0.120581D+02  0.152097D+02 -0.560287D+01
      2  -0.159895D+02 -0.306941D+01 -0.980076D+01 -0.106502D+02  0.375544D+01
      3  -0.979760D+01  0.213283D+01 -0.225738D+01 -0.455946D+01  0.184743D+01
      4  -0.484837D+01  0.504537D+01 -0.298089D+01 -0.939977D+01  0.618573D+01
      5   0.181087D+02 -0.111926D+01  0.978016D+01 -0.127222D+02  0.803061D+01
      6  -0.448157D+01  0.247723D+01 -0.174110D+01  0.538571D+01 -0.380054D+01
               111           112           113           114           115 
      1  -0.812857D+01 -0.178816D+01 -0.277647D+00  0.162713D+01 -0.158826D+02
      2   0.564468D+01 -0.601332D+00  0.490481D+01  0.753253D-01  0.124850D+02
      3   0.248389D+01  0.238949D+01 -0.462716D+01 -0.170245D+01  0.339761D+01
      4   0.866815D+01  0.114173D+02 -0.176108D+02 -0.101961D+02  0.204919D+02
      5   0.154173D+02  0.685324D+01 -0.925478D+01 -0.993151D+01  0.276470D+02
      6  -0.555969D+01 -0.458663D+01  0.556359D+01  0.100877D+02 -0.123251D+02
               116           117           118           119           120 
      1   0.713693D+01  0.481919D+01 -0.874006D+00 -0.900965D+01  0.408420D+01
      2  -0.580041D+01 -0.142210D+02  0.157779D+01  0.109527D+02 -0.246508D+01
      3  -0.133652D+01  0.940178D+01 -0.703783D+00 -0.194304D+01 -0.161912D+01
      4  -0.202156D+02 -0.212532D+02 -0.164879D+00 -0.199028D+01 -0.269118D-02
      5  -0.232442D+02 -0.456515D+02  0.200531D+01  0.157380D+01  0.146717D+01
      6   0.168939D+02  0.247245D+02 -0.181712D+01 -0.310527D+01  0.119352D+01
               121           122           123           124           125 
      1  -0.739620D+01 -0.208962D+02  0.740371D+01  0.514356D+01  0.100044D+02
      2  -0.639779D-01  0.446208D+02 -0.980746D+01 -0.780792D+00 -0.156792D+02
      3   0.746018D+01 -0.237246D+02  0.240376D+01 -0.436277D+01  0.567483D+01
      4   0.150962D+02 -0.455230D+02  0.711834D+01 -0.361225D+01  0.135954D+02
      5   0.937958D-01  0.103808D+02 -0.837966D+01  0.678550D+01 -0.130266D+02
      6   0.235607D+01 -0.162539D+02  0.964704D+01 -0.369316D+01  0.151922D+02
               126           127           128           129           130 
      1  -0.338564D+01  0.259423D+00 -0.904698D+00 -0.221032D+00  0.627386D+00
      2   0.410681D+01  0.212681D+01  0.527094D+00  0.426570D+00 -0.151898D+01
      3  -0.721173D+00 -0.238623D+01  0.377605D+00 -0.205538D+00  0.891595D+00
      4  -0.102018D+02 -0.617012D+00  0.771491D+01  0.212394D+01  0.675828D+01
      5   0.184727D+01 -0.951850D+00  0.341464D+01  0.361520D+01  0.329070D+01
      6  -0.535855D+01  0.385251D+01 -0.206409D+00  0.890365D+00 -0.313146D+01
               131           132           133           134           135 
      1  -0.219377D+02 -0.104414D+02  0.386064D+00 -0.900840D+01 -0.102000D+02
      2   0.261871D+02  0.816541D+01  0.463874D+00  0.629323D+01  0.206148D+01
      3  -0.424943D+01  0.227602D+01 -0.849939D+00  0.271517D+01  0.813856D+01
      4  -0.143410D+01 -0.126758D+01  0.184813D+01 -0.124997D+01  0.334637D+00
      5  -0.208957D+01 -0.107541D+01  0.286373D+01 -0.795595D+00 -0.209073D+01
      6   0.251833D+02  0.162449D+02 -0.962459D+00  0.151109D+02  0.114736D+02
               136           137           138           139           140 
      1   0.582835D+01  0.613162D+01  0.113310D+02  0.910280D+01  0.130972D+02
      2   0.154160D+02 -0.501383D+01 -0.106690D+02 -0.100978D+02 -0.179196D+02
      3  -0.212443D+02 -0.111779D+01 -0.662003D+00  0.994991D+00  0.482238D+01
      4   0.926977D+01  0.279756D+01  0.251393D+01  0.461414D+00 -0.152374D+02
      5   0.129843D+02 -0.742979D+01 -0.203276D+02 -0.113871D+02  0.610394D+01
      6  -0.505713D+01  0.235628D+01  0.380012D+01  0.509170D+01  0.267639D+02
               141           142           143           144           145 
      1  -0.189359D+01  0.973978D+01  0.170835D+01 -0.143728D+02 -0.171564D+02
      2   0.160962D+02 -0.871615D+01  0.928838D+01  0.182790D+01  0.139671D+02
      3  -0.142026D+02 -0.102363D+01 -0.109967D+02  0.125449D+02  0.318925D+01
      4   0.699100D+01  0.398422D+01  0.469829D+01  0.136621D+01  0.204538D+02
      5   0.854503D+01 -0.201573D+02  0.443756D+01  0.362856D+01  0.244242D+02
      6  -0.918717D+01  0.113699D+01 -0.306653D+01 -0.113288D+02  0.704558D+01
               146           147           148           149           150 
      1   0.169448D+02  0.230068D+02  0.280821D+02  0.111734D+02 -0.295089D+01
      2  -0.101419D+02 -0.105881D+02 -0.208124D+02 -0.264935D+02  0.343394D+01
      3  -0.680288D+01 -0.124187D+02 -0.726974D+01  0.153201D+02 -0.483040D+00
      4   0.237390D+01  0.385159D+01 -0.469642D+01 -0.332523D+02  0.642070D+01
      5   0.142868D+01 -0.931253D+01 -0.123800D+01  0.559252D+01  0.958007D+01
      6   0.952434D+00 -0.183410D+01  0.321119D+00 -0.780627D+00  0.270024D+01
               151           152           153           154           155 
      1   0.288287D+02 -0.180189D+01 -0.128528D+02  0.216067D+02 -0.860905D+01
      2  -0.119491D+02  0.289195D+01  0.144919D+02  0.292314D+00 -0.776035D+01
      3  -0.168796D+02 -0.109006D+01 -0.163903D+01 -0.218990D+02  0.163694D+02
      4   0.309052D+01  0.691167D+01  0.545229D+01 -0.335454D+02  0.286918D+02
      5  -0.147140D+02  0.726652D+01 -0.238215D+02  0.285806D+01 -0.263065D+01
      6  -0.382156D+01  0.366492D+01 -0.763589D+01 -0.344595D+01  0.362236D+01
               156           157           158           159           160 
      1  -0.607461D+00 -0.372455D+01 -0.185162D+00  0.315164D-01 -0.612701D+00
      2   0.104045D+01 -0.941443D+01  0.169464D+02  0.811580D+00  0.554749D+00
      3  -0.432994D+00  0.131390D+02 -0.167612D+02 -0.843096D+00  0.579518D-01
      4  -0.105898D+01  0.235911D+02 -0.256050D+02  0.233588D+00 -0.341113D+00
      5   0.536331D+01 -0.185754D+01  0.136630D+01 -0.206022D+01  0.579547D+01
      6  -0.294300D+01  0.270138D+01 -0.321782D+01  0.480154D+01 -0.387584D+01
               161           162           163           164           165 
      1   0.407386D-01  0.130584D+00  0.240720D+01  0.133872D+01 -0.478077D+01
      2   0.152156D+01  0.577714D+00 -0.135389D+02 -0.187725D+01 -0.149006D+02
      3  -0.156230D+01 -0.708298D+00  0.111316D+02  0.538526D+00  0.196814D+02
      4  -0.428491D+00 -0.494334D+01 -0.137294D+01  0.365732D+01 -0.243453D+01
      5  -0.398271D+01  0.354091D+00  0.188642D+02  0.514920D+00  0.198927D+02
      6   0.614364D+01 -0.236916D+01 -0.368145D+01  0.264084D+01 -0.445365D+01
               166           167           168           169           170 
      1  -0.131453D+01 -0.669329D+00 -0.180626D+01 -0.300780D+01  0.676444D+00
      2  -0.231698D+01 -0.246072D+01 -0.321610D+01 -0.121890D+02 -0.132784D+01
      3   0.363151D+01  0.313005D+01  0.502236D+01  0.151968D+02  0.651392D+00
      4   0.294894D+01  0.432985D+00  0.157094D+01 -0.144155D+01  0.180337D+01
      5   0.156091D+01  0.344682D+01  0.300899D+01  0.169856D+02  0.166115D+01
      6   0.225637D+01  0.117059D+01  0.536936D+01 -0.197713D+01  0.485473D+01
               171           172           173           174           175 
      1  -0.133284D+02 -0.285204D+01 -0.609033D+01  0.872716D+01 -0.467432D+01
      2  -0.209010D+02 -0.336453D+01  0.103292D+01  0.344639D+01  0.550487D+00
      3   0.342294D+02  0.621657D+01  0.505742D+01 -0.121735D+02  0.412384D+01
      4  -0.179406D+01  0.623375D+01  0.543110D+01 -0.583681D+01  0.479439D+01
      5   0.217532D+02 -0.132252D+02 -0.677806D+01  0.140112D+02 -0.611150D+01
      6  -0.604030D+01 -0.952335D+01 -0.113859D+02  0.130257D+02 -0.869859D+01
               176           177           178           179           180 
      1  -0.886356D+01  0.928521D+01  0.428564D+01  0.690207D+01 -0.123024D+02
      2   0.651506D+01 -0.209383D+00  0.184127D+01  0.441120D+00 -0.665883D+01
      3   0.234850D+01 -0.907583D+01 -0.612691D+01 -0.734319D+01  0.189612D+02
      4   0.414482D+01 -0.397481D+01 -0.251877D+01 -0.291220D+01  0.326368D+01
      5  -0.595184D+01  0.664469D+01  0.946378D+01  0.466970D+01 -0.876049D+01
      6  -0.129603D+02  0.137837D+02  0.670983D+01  0.993011D+01 -0.147508D+02
               181           182           183           184           185 
      1  -0.446445D+01 -0.113000D+00 -0.115101D+02 -0.219775D+01 -0.321668D+01
      2  -0.486924D+01 -0.560868D+00 -0.542459D+01  0.885850D+00  0.181492D+01
      3   0.933369D+01  0.673868D+00  0.169347D+02  0.131190D+01  0.140176D+01
      4  -0.763526D+01 -0.762106D+00 -0.265921D+01 -0.782854D+00  0.231834D+00
      5   0.117697D+02  0.234661D+01  0.636246D+01  0.421517D+01  0.841693D+00
      6   0.196089D+01  0.438017D+01 -0.320857D+01  0.248660D+01 -0.339517D+00
               186           187           188           189           190 
      1  -0.322567D+01 -0.678525D+01 -0.150955D+01 -0.759795D+01 -0.101588D+01
      2  -0.390722D+01 -0.346588D+01 -0.184757D+01 -0.670615D+01  0.693558D+00
      3   0.713290D+01  0.102511D+02  0.335712D+01  0.143041D+02  0.322319D+00
      4  -0.810579D+00 -0.258319D+01  0.604098D-01 -0.263283D+01  0.241523D+01
      5  -0.123201D+01  0.886130D+01  0.454491D+00  0.528135D+01 -0.316075D+01
      6   0.287034D+01 -0.168124D+00  0.324809D+01  0.102446D+01 -0.324246D+01
               191           192           193           194           195 
      1   0.155108D+01 -0.130225D+01  0.176986D+00 -0.214108D+02  0.116962D+02
      2  -0.151387D+00  0.166448D+01  0.206933D+01  0.302018D+02 -0.653279D+01
      3  -0.139969D+01 -0.362232D+00 -0.224632D+01 -0.879106D+01 -0.516338D+01
      4   0.672164D+01 -0.246184D+01  0.850010D+01  0.182068D+02 -0.677814D+01
      5  -0.325930D+01  0.555912D+01 -0.464381D+01 -0.638475D+01  0.537811D+01
      6  -0.188706D+01  0.719282D+00 -0.448414D+01 -0.355938D+02  0.196259D+02
               196           197           198           199           200 
      1  -0.338535D+00  0.517348D+01 -0.465042D+01  0.143826D+02 -0.294477D+01
      2   0.131142D+01 -0.100327D+01  0.118595D+01 -0.202793D+02  0.359550D+01
      3  -0.972889D+00 -0.417022D+01  0.346447D+01  0.589669D+01 -0.650734D+00
      4  -0.763827D+00 -0.217464D+01  0.277386D+01 -0.106314D+01  0.478410D+01
      5   0.383587D+01  0.217890D+01 -0.300327D+01 -0.285865D+02  0.458725D+01
      6   0.100949D+01  0.108135D+02 -0.709210D+01  0.325322D+01 -0.595071D+01
               201           202           203           204           205 
      1  -0.375667D+01 -0.476298D+01 -0.164333D+00 -0.140589D+00 -0.242942D+01
      2   0.170178D+02  0.696363D+01 -0.119124D+01 -0.847747D+01  0.123304D+02
      3  -0.132611D+02 -0.220066D+01  0.135557D+01  0.861806D+01 -0.990102D+01
      4  -0.187753D-01  0.442012D+01 -0.238084D+01 -0.451427D+01 -0.535798D+00
      5   0.265577D+02  0.108473D+02 -0.681426D+01 -0.105526D+02  0.198116D+02
      6  -0.876520D+00 -0.558968D+01  0.193818D+01  0.668095D+01 -0.181168D+01
               206           207           208           209           210 
      1   0.164578D-01 -0.211091D+01  0.779264D+01 -0.251056D+01  0.530778D+01
      2  -0.397146D+01 -0.167852D+02 -0.751106D+01  0.142935D+01 -0.580235D+01
      3   0.395501D+01  0.188961D+02 -0.281582D+00  0.108120D+01  0.494574D+00
      4  -0.266990D+01 -0.113516D+01 -0.134062D+01  0.998784D+00  0.985977D+00
      5  -0.411398D+01 -0.222623D+02  0.751709D+01 -0.538775D+00  0.130218D+02
      6   0.532106D+01  0.227551D+01  0.933762D+00  0.313205D+00  0.200810D+01
               211           212           213           214           215 
      1  -0.710741D+01 -0.116839D+01 -0.778985D+00  0.109445D+02  0.984584D+00
      2   0.462739D+01  0.151036D+01  0.191484D+01 -0.930029D+01  0.165249D+01
      3   0.248002D+01 -0.341971D+00 -0.113586D+01 -0.164421D+01 -0.263707D+01
      4   0.233855D+01  0.147735D+01  0.404259D+01  0.435019D+01  0.661987D+01
      5  -0.176315D+01  0.348668D+01 -0.444425D+01  0.191678D+02 -0.805373D+00
      6   0.787579D+00  0.123432D-01  0.279793D+01  0.485526D+01  0.384656D+01
               216           217           218           219           220 
      1   0.383459D+01  0.628603D+02 -0.689377D+01 -0.155727D+02 -0.226052D+02
      2  -0.167929D+02 -0.340344D+02  0.501030D+01  0.870175D+01  0.131552D+02
      3   0.129584D+02 -0.288260D+02  0.188347D+01  0.687098D+01  0.945004D+01
      4   0.298215D+00 -0.568057D+00  0.819291D+01  0.558389D+00  0.994378D+01
      5   0.373845D+02 -0.158794D+02  0.164203D+01  0.127100D+02  0.476351D+01
      6   0.108112D+02 -0.340724D+01  0.258950D+00  0.274537D+01 -0.600575D-01
               221           222           223           224           225 
      1   0.583061D+01  0.419364D+01 -0.285581D+02  0.145293D+01  0.118507D+02
      2  -0.623718D+00 -0.291810D+01  0.159846D+02 -0.208383D+01 -0.967812D+01
      3  -0.520689D+01 -0.127554D+01  0.125736D+02  0.630909D+00 -0.217261D+01
      4  -0.245881D+01 -0.392106D+01 -0.124191D+01 -0.636604D+01 -0.168006D+01
      5  -0.371402D+01 -0.615738D+01  0.169137D+02 -0.242560D+01 -0.105601D+02
      6   0.369094D+00  0.420904D+00  0.258005D+01  0.632237D+00 -0.110224D+01
               226           227           228           229           230 
      1   0.484650D+01  0.505046D+01 -0.233314D+01  0.590151D+01 -0.123530D+02
      2   0.601474D+00 -0.147376D+01  0.122620D+01  0.599463D+01  0.383831D+02
      3  -0.544797D+01 -0.357671D+01  0.110694D+01 -0.118961D+02 -0.260301D+02
      4   0.499668D+01  0.889474D+01 -0.490645D+00  0.216020D+02  0.482998D+02
      5  -0.213623D+01  0.344156D+00  0.179441D+01  0.124054D+01 -0.113837D+01
      6  -0.496870D+00  0.277264D-01 -0.286601D+00  0.118480D+01  0.344039D+01
               231           232           233           234 
      1   0.113332D+01 -0.478467D+01  0.582844D+00 -0.416508D+00
      2  -0.169345D+01  0.129894D+01 -0.253617D+01  0.160813D+01
      3   0.560127D+00  0.348573D+01  0.195332D+01 -0.119162D+01
      4  -0.112438D+01 -0.245492D+01 -0.405752D+01  0.434000D+01
      5   0.602395D+01  0.441588D+01  0.472089D+01  0.954323D+00
      6   0.651921D+01  0.233874D+01  0.620953D+01 -0.560482D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:48:10 2021, MaxMem=  5637144576 cpu:           16744.0 elap:            2117.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19262 -10.18488 -10.18448 -10.18164 -10.18090
 Alpha  occ. eigenvalues --  -10.17952 -10.17629 -10.17127 -10.16814 -10.16521
 Alpha  occ. eigenvalues --   -0.87802  -0.78157  -0.74488  -0.72728  -0.67580
 Alpha  occ. eigenvalues --   -0.66625  -0.60781  -0.59236  -0.54643  -0.49608
 Alpha  occ. eigenvalues --   -0.47370  -0.45295  -0.44410  -0.43137  -0.42118
 Alpha  occ. eigenvalues --   -0.40975  -0.40690  -0.39488  -0.38524  -0.37229
 Alpha  occ. eigenvalues --   -0.36996  -0.35768  -0.35198  -0.32774  -0.29954
 Alpha  occ. eigenvalues --   -0.29828  -0.28125  -0.22918
 Alpha virt. eigenvalues --    0.01170   0.01507   0.03375   0.03938   0.04319
 Alpha virt. eigenvalues --    0.06454   0.06663   0.06825   0.07590   0.08203
 Alpha virt. eigenvalues --    0.09135   0.09984   0.10714   0.11050   0.11980
 Alpha virt. eigenvalues --    0.12623   0.12865   0.13475   0.14410   0.14933
 Alpha virt. eigenvalues --    0.15076   0.15234   0.16405   0.16973   0.18102
 Alpha virt. eigenvalues --    0.18524   0.19432   0.20290   0.20962   0.21326
 Alpha virt. eigenvalues --    0.22406   0.23029   0.23321   0.24141   0.25034
 Alpha virt. eigenvalues --    0.25430   0.26157   0.26520   0.27413   0.28115
 Alpha virt. eigenvalues --    0.29037   0.29205   0.29501   0.30545   0.31118
 Alpha virt. eigenvalues --    0.32011   0.32225   0.32321   0.33333   0.33635
 Alpha virt. eigenvalues --    0.34005   0.34447   0.34818   0.34946   0.35383
 Alpha virt. eigenvalues --    0.35601   0.35740   0.36643   0.36787   0.36977
 Alpha virt. eigenvalues --    0.37836   0.37934   0.38301   0.38489   0.38762
 Alpha virt. eigenvalues --    0.39925   0.40579   0.40731   0.40866   0.41768
 Alpha virt. eigenvalues --    0.42337   0.42673   0.43312   0.44200   0.44734
 Alpha virt. eigenvalues --    0.44922   0.45387   0.45706   0.46588   0.46707
 Alpha virt. eigenvalues --    0.47329   0.48532   0.48974   0.49218   0.50039
 Alpha virt. eigenvalues --    0.50337   0.50738   0.51004   0.51254   0.52113
 Alpha virt. eigenvalues --    0.52434   0.53010   0.53627   0.53985   0.54284
 Alpha virt. eigenvalues --    0.54604   0.55190   0.55454   0.56176   0.57005
 Alpha virt. eigenvalues --    0.57825   0.58073   0.58514   0.59006   0.59924
 Alpha virt. eigenvalues --    0.60074   0.60821   0.62209   0.62526   0.62694
 Alpha virt. eigenvalues --    0.63574   0.64100   0.65402   0.66108   0.66989
 Alpha virt. eigenvalues --    0.67339   0.67477   0.69441   0.69772   0.70289
 Alpha virt. eigenvalues --    0.71634   0.72408   0.73069   0.74502   0.75633
 Alpha virt. eigenvalues --    0.76067   0.76632   0.78903   0.78961   0.80898
 Alpha virt. eigenvalues --    0.81181   0.81978   0.82466   0.83488   0.85655
 Alpha virt. eigenvalues --    0.86880   0.90479   0.92753   0.94033   0.94668
 Alpha virt. eigenvalues --    0.96298   0.96990   0.97862   0.98479   0.98652
 Alpha virt. eigenvalues --    0.99806   1.00015   1.00904   1.02471   1.02849
 Alpha virt. eigenvalues --    1.03841   1.04337   1.05246   1.07061   1.07825
 Alpha virt. eigenvalues --    1.09437   1.10428   1.11789   1.12674   1.13292
 Alpha virt. eigenvalues --    1.15216   1.18012   1.19027   1.19789   1.19896
 Alpha virt. eigenvalues --    1.21961   1.23973   1.26616   1.27770   1.27937
 Alpha virt. eigenvalues --    1.30187   1.33171   1.33510   1.34683   1.35868
 Alpha virt. eigenvalues --    1.37553   1.37987   1.39562   1.40819   1.41582
 Alpha virt. eigenvalues --    1.43692   1.44343   1.46638   1.47307   1.49978
 Alpha virt. eigenvalues --    1.51166   1.52628   1.56617   1.58882   1.60747
 Alpha virt. eigenvalues --    1.61743   1.64203   1.66526   1.67385   1.68756
 Alpha virt. eigenvalues --    1.69830   1.71668   1.72426   1.75525   1.76207
 Alpha virt. eigenvalues --    1.76660   1.77595   1.79387   1.80647   1.84797
 Alpha virt. eigenvalues --    1.85703   1.86175   1.86808   1.89243   1.90146
 Alpha virt. eigenvalues --    1.92557   1.94571   1.95933   1.96301   1.96876
 Alpha virt. eigenvalues --    1.99684   2.00920   2.02643   2.02912   2.03243
 Alpha virt. eigenvalues --    2.04904   2.05986   2.06253   2.07456   2.09902
 Alpha virt. eigenvalues --    2.10776   2.12702   2.13972   2.14799   2.16343
 Alpha virt. eigenvalues --    2.17581   2.18181   2.19908   2.20208   2.22365
 Alpha virt. eigenvalues --    2.24452   2.26626   2.27566   2.28482   2.29104
 Alpha virt. eigenvalues --    2.32462   2.33094   2.34507   2.36350   2.37326
 Alpha virt. eigenvalues --    2.39268   2.40459   2.42326   2.44153   2.47069
 Alpha virt. eigenvalues --    2.48418   2.50657   2.52584   2.54231   2.56853
 Alpha virt. eigenvalues --    2.57562   2.58504   2.61645   2.63478   2.64456
 Alpha virt. eigenvalues --    2.65127   2.66626   2.68276   2.69784   2.70594
 Alpha virt. eigenvalues --    2.72806   2.74757   2.78955   2.80444   2.82078
 Alpha virt. eigenvalues --    2.89056   2.93585   2.97880   2.99373   3.00193
 Alpha virt. eigenvalues --    3.01870   3.06506   3.08211   3.09566   3.11751
 Alpha virt. eigenvalues --    3.13232   3.14468   3.17064   3.19024   3.19811
 Alpha virt. eigenvalues --    3.21300   3.24119   3.26489   3.30142   3.41021
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.834671   0.223612  -0.007851  -0.449763  -0.452254  -0.137647
     2  C    0.223612   4.976275   0.005414  -0.000179  -0.050424   0.133362
     3  C   -0.007851   0.005414   8.887301  -0.716988   0.159284  -0.290103
     4  C   -0.449763  -0.000179  -0.716988   6.282623  -0.598832   0.154513
     5  C   -0.452254  -0.050424   0.159284  -0.598832   8.116947  -1.787532
     6  C   -0.137647   0.133362  -0.290103   0.154513  -1.787532  17.298787
     7  C    0.346423   0.155167  -0.232114   0.031570   0.830617  -1.754063
     8  C   -0.204760  -0.050976  -0.259321   0.066354  -0.372538   0.293940
     9  H   -0.753850  -0.442925  -0.093009   0.000875   0.084255  -0.016458
    10  H    0.044398   0.034634  -0.000587  -0.003915   0.041090   0.064517
    11  H   -0.048236   0.296401   0.031563   0.000045  -0.004390   0.047960
    12  H   -0.070224   0.002434   0.137893   0.132250   0.053543   0.000830
    13  H    0.052088  -0.001977   0.249147  -0.023848  -0.008002   0.003020
    14  H    0.017190  -0.000064   0.200794   0.124639  -0.061144  -0.005789
    15  H   -0.027366   0.004802  -0.546139  -0.259861  -0.063485  -1.062102
    16  C   -0.026091  -0.218179  -0.203796  -0.027783   0.247067  -3.245671
    17  C    0.013147   0.058427   0.082805  -0.000905  -0.127565  -0.474342
    18  H   -0.060038  -0.643880   0.115507  -0.005264   0.010405  -0.984220
    19  H    0.062474   0.088425   0.070377   0.005897   0.009732  -0.028368
    20  H   -0.086534  -0.131341  -0.135858   0.001928  -0.124801   0.205947
    21  H    0.001648   0.017083  -0.086467   0.007753  -0.081136  -0.021783
    22  H   -0.004662   0.006348   0.024594  -0.003103   0.010188   0.304299
    23  H    0.007328  -0.008790   0.012450  -0.002626   0.016993   0.262390
    24  H   -0.001943   0.000533   0.001810  -0.000480  -0.062143   0.510455
    25  H    0.000320  -0.002463  -0.005660  -0.000097   0.025545   0.174702
    26  H    0.001521  -0.002011  -0.001073  -0.000504   0.020355   0.195207
               7          8          9         10         11         12
     1  C    0.346423  -0.204760  -0.753850   0.044398  -0.048236  -0.070224
     2  C    0.155167  -0.050976  -0.442925   0.034634   0.296401   0.002434
     3  C   -0.232114  -0.259321  -0.093009  -0.000587   0.031563   0.137893
     4  C    0.031570   0.066354   0.000875  -0.003915   0.000045   0.132250
     5  C    0.830617  -0.372538   0.084255   0.041090  -0.004390   0.053543
     6  C   -1.754063   0.293940  -0.016458   0.064517   0.047960   0.000830
     7  C    7.043949  -0.224295  -0.032387   0.093330  -0.099930  -0.000249
     8  C   -0.224295   5.365458   0.020537  -0.058029   0.023142   0.002936
     9  H   -0.032387   0.020537   2.702627  -0.082407  -0.045573   0.021381
    10  H    0.093330  -0.058029  -0.082407   1.106583  -0.117001  -0.000398
    11  H   -0.099930   0.023142  -0.045573  -0.117001   1.058749  -0.000032
    12  H   -0.000249   0.002936   0.021381  -0.000398  -0.000032   0.775319
    13  H    0.000193   0.001193  -0.020192   0.000406  -0.000012  -0.069313
    14  H    0.002718  -0.002822  -0.022972   0.000306   0.000345  -0.093393
    15  H    0.008422  -0.081584   0.026974  -0.004383  -0.004800   0.013170
    16  C    0.238501   0.123029   0.037776  -0.012558  -0.057456   0.002457
    17  C   -0.127702  -0.095339  -0.000351  -0.000600   0.003622  -0.000079
    18  H   -0.099137  -0.028253   0.035458  -0.087876  -0.124257   0.000044
    19  H    0.013201  -0.137852  -0.002510   0.004468   0.000618  -0.000483
    20  H   -0.088135   0.077902   0.020786  -0.012804  -0.005120   0.001024
    21  H   -0.057634   0.026930   0.006463  -0.006516  -0.013733   0.000258
    22  H    0.007173  -0.010201  -0.003720   0.000501   0.002145  -0.000626
    23  H    0.042361  -0.017420  -0.001948   0.002463  -0.004045  -0.000056
    24  H   -0.115821  -0.017544  -0.000026   0.000664   0.000436   0.000004
    25  H    0.021456  -0.002483   0.000039  -0.001358  -0.001021  -0.000002
    26  H    0.045196  -0.003552   0.000020  -0.000185  -0.000530   0.000005
              13         14         15         16         17         18
     1  C    0.052088   0.017190  -0.027366  -0.026091   0.013147  -0.060038
     2  C   -0.001977  -0.000064   0.004802  -0.218179   0.058427  -0.643880
     3  C    0.249147   0.200794  -0.546139  -0.203796   0.082805   0.115507
     4  C   -0.023848   0.124639  -0.259861  -0.027783  -0.000905  -0.005264
     5  C   -0.008002  -0.061144  -0.063485   0.247067  -0.127565   0.010405
     6  C    0.003020  -0.005789  -1.062102  -3.245671  -0.474342  -0.984220
     7  C    0.000193   0.002718   0.008422   0.238501  -0.127702  -0.099137
     8  C    0.001193  -0.002822  -0.081584   0.123029  -0.095339  -0.028253
     9  H   -0.020192  -0.022972   0.026974   0.037776  -0.000351   0.035458
    10  H    0.000406   0.000306  -0.004383  -0.012558  -0.000600  -0.087876
    11  H   -0.000012   0.000345  -0.004800  -0.057456   0.003622  -0.124257
    12  H   -0.069313  -0.093393   0.013170   0.002457  -0.000079   0.000044
    13  H    0.781825   0.120254  -0.047617   0.000038   0.000195  -0.000397
    14  H    0.120254   0.800855  -0.054293  -0.008513   0.000819  -0.000456
    15  H   -0.047617  -0.054293   3.153173   0.290486  -0.051254   0.081704
    16  C    0.000038  -0.008513   0.290486   7.299814  -0.562027   0.316952
    17  C    0.000195   0.000819  -0.051254  -0.562027   5.728240  -0.149107
    18  H   -0.000397  -0.000456   0.081704   0.316952  -0.149107   3.649838
    19  H    0.003627   0.000895  -0.153830  -0.021666   0.063835  -0.286246
    20  H   -0.006092  -0.000904   0.175869   0.003167  -0.018500   0.204766
    21  H   -0.000618  -0.001823   0.030834   0.382088   0.015970   0.036260
    22  H   -0.000253   0.002655   0.017838  -0.202170   0.030613  -0.003585
    23  H   -0.000051   0.000033   0.000313  -0.163869   0.001972   0.009255
    24  H   -0.000064  -0.000003  -0.004679   0.009169   0.110891  -0.031445
    25  H    0.000003  -0.000009   0.002265   0.053827  -0.183308   0.039202
    26  H   -0.000042   0.000042   0.020390   0.043597  -0.230547   0.008342
              19         20         21         22         23         24
     1  C    0.062474  -0.086534   0.001648  -0.004662   0.007328  -0.001943
     2  C    0.088425  -0.131341   0.017083   0.006348  -0.008790   0.000533
     3  C    0.070377  -0.135858  -0.086467   0.024594   0.012450   0.001810
     4  C    0.005897   0.001928   0.007753  -0.003103  -0.002626  -0.000480
     5  C    0.009732  -0.124801  -0.081136   0.010188   0.016993  -0.062143
     6  C   -0.028368   0.205947  -0.021783   0.304299   0.262390   0.510455
     7  C    0.013201  -0.088135  -0.057634   0.007173   0.042361  -0.115821
     8  C   -0.137852   0.077902   0.026930  -0.010201  -0.017420  -0.017544
     9  H   -0.002510   0.020786   0.006463  -0.003720  -0.001948  -0.000026
    10  H    0.004468  -0.012804  -0.006516   0.000501   0.002463   0.000664
    11  H    0.000618  -0.005120  -0.013733   0.002145  -0.004045   0.000436
    12  H   -0.000483   0.001024   0.000258  -0.000626  -0.000056   0.000004
    13  H    0.003627  -0.006092  -0.000618  -0.000253  -0.000051  -0.000064
    14  H    0.000895  -0.000904  -0.001823   0.002655   0.000033  -0.000003
    15  H   -0.153830   0.175869   0.030834   0.017838   0.000313  -0.004679
    16  C   -0.021666   0.003167   0.382088  -0.202170  -0.163869   0.009169
    17  C    0.063835  -0.018500   0.015970   0.030613   0.001972   0.110891
    18  H   -0.286246   0.204766   0.036260  -0.003585   0.009255  -0.031445
    19  H    2.405320  -0.945057  -0.002224  -0.001599  -0.001286   0.005221
    20  H   -0.945057   2.500464   0.005130  -0.000610  -0.000741   0.000914
    21  H   -0.002224   0.005130   1.207492  -0.107915  -0.204939  -0.005896
    22  H   -0.001599  -0.000610  -0.107915   0.863677   0.004694   0.001663
    23  H   -0.001286  -0.000741  -0.204939   0.004694   0.911851   0.003250
    24  H    0.005221   0.000914  -0.005896   0.001663   0.003250   1.110434
    25  H    0.003435   0.001762   0.006164  -0.015465   0.007800  -0.091526
    26  H    0.004442   0.002229   0.009053   0.012155  -0.015462  -0.120450
              25         26
     1  C    0.000320   0.001521
     2  C   -0.002463  -0.002011
     3  C   -0.005660  -0.001073
     4  C   -0.000097  -0.000504
     5  C    0.025545   0.020355
     6  C    0.174702   0.195207
     7  C    0.021456   0.045196
     8  C   -0.002483  -0.003552
     9  H    0.000039   0.000020
    10  H   -0.001358  -0.000185
    11  H   -0.001021  -0.000530
    12  H   -0.000002   0.000005
    13  H    0.000003  -0.000042
    14  H   -0.000009   0.000042
    15  H    0.002265   0.020390
    16  C    0.053827   0.043597
    17  C   -0.183308  -0.230547
    18  H    0.039202   0.008342
    19  H    0.003435   0.004442
    20  H    0.001762   0.002229
    21  H    0.006164   0.009053
    22  H   -0.015465   0.012155
    23  H    0.007800  -0.015462
    24  H   -0.091526  -0.120450
    25  H    0.875369  -0.040063
    26  H   -0.040063   0.920736
 Mulliken charges:
               1
     1  C   -0.273601
     2  C    1.550295
     3  C   -1.399973
     4  C    1.285703
     5  C    0.168223
     6  C   -3.841850
     7  C   -0.048811
     8  C    1.565549
     9  H   -0.438861
    10  H   -0.004744
    11  H    0.061108
    12  H    0.091309
    13  H   -0.033511
    14  H   -0.019360
    15  H   -0.464848
    16  C    1.701811
    17  C    1.911087
    18  H   -1.003570
    19  H   -0.160846
    20  H   -0.645391
    21  H   -0.162442
    22  H    0.065366
    23  H    0.138082
    24  H   -0.303425
    25  H    0.131568
    26  H    0.131132
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.712462
     2  C    1.606658
     3  C   -1.399973
     4  C    1.324142
     5  C   -0.296625
     6  C   -3.841850
     7  C   -1.052381
     8  C    0.759311
    16  C    1.742817
    17  C    1.870362
 Electronic spatial extent (au):  <R**2>=           1371.2420
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1042    Y=             -0.1182    Z=             -0.0826  Tot=              0.1779
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.3141   YY=            -63.6197   ZZ=            -65.1928
   XY=             -0.6811   XZ=              0.3999   YZ=              0.8597
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0614   YY=              0.7558   ZZ=             -0.8173
   XY=             -0.6811   XZ=              0.3999   YZ=              0.8597
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.8210  YYY=             -0.7213  ZZZ=             -2.5778  XYY=              0.7315
  XXY=              1.3056  XXZ=              1.8122  XZZ=             -0.4552  YZZ=              0.6836
  YYZ=              0.4954  XYZ=              0.8601
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -987.3048 YYYY=           -529.6856 ZZZZ=           -438.5157 XXXY=             -6.2042
 XXXZ=              4.1335 YYYX=              1.7888 YYYZ=             -2.5722 ZZZX=              1.8100
 ZZZY=              5.9970 XXYY=           -257.5573 XXZZ=           -232.8207 YYZZ=           -162.3257
 XXYZ=              4.2028 YYXZ=              0.0011 ZZXY=             -1.4255
 N-N= 5.686174202710D+02 E-N=-2.038296792590D+03  KE= 3.856254617292D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:48:12 2021, MaxMem=  5637144576 cpu:               9.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2206   -0.2203       -0.2869   -0.2863
 2      0.2206    0.2203       -2.4112   -2.4118       -1.5689   -1.5670
 3      0.2869    0.2863        7.9332    7.9320        2.4105    2.4118
 4      2.4112    2.4118       -0.0000    0.0000        0.2870    0.2863
 5     -6.3643   -6.3650       -0.2870   -0.2863       -0.2200   -0.2203
 6     -2.4105   -2.4118        0.2200    0.2203        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6608    0.6608       -0.8590   -0.8590
 2      7.2355    7.2355        0.0000    0.0000       -0.8590   -0.8590
 3      7.2355    7.2355        0.6608    0.6608       -0.0000    0.0000
 4      0.6608    0.6608       -7.2355   -7.2355       -4.7010   -4.7010
 5      0.8590    0.8590       23.7959   23.7959        7.2355    7.2355
 6    -19.0950  -19.0950       -0.8590   -0.8590       -0.6608   -0.6608
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0386    0.0000        0.8457    0.8810        1.0819    1.1454
 2     -0.9447   -0.8810        9.5784    9.6474        6.2544    6.2679
 3     -1.2660   -1.1454      -31.6613  -31.7279       -9.6586   -9.6474
 4     -9.6191   -9.6474       -0.0264    0.0000       -1.2471   -1.1454
 5     25.5021   25.4600        1.1505    1.1454        0.8815    0.8810
 6      9.6504    9.6474       -0.8627   -0.8810        0.0510    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0618    0.0000       13.3539   13.3696       -7.0420   -7.1272
 2    -13.4952  -13.3696      -27.6974  -27.7544      -32.9165  -32.9425
 3      7.2183    7.1272      -29.7083  -29.7450       27.6215   27.7544
 4     27.8476   27.7544        0.0081    0.0000        7.1650    7.1272
 5     62.7138   62.6875       -7.1068   -7.1272       13.6495   13.3696
 6    -27.8561  -27.7544      -13.3651  -13.3696       -0.1215    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     23.1906   23.1923       41.1576   41.1807       -5.4247   -5.3505
 2     56.2309   56.1303       59.5001   59.4681       -5.3041   -5.3505
 3     56.2370   56.1303       41.1737   41.1807       -7.3942   -7.4381
 4    -18.3536  -18.2873      -32.8621  -32.9380      -39.5902  -39.5811
 5     -2.0742   -2.0876      -23.6809  -23.6630       32.7991   32.9380
 6     63.3652   63.2442        1.9839    2.0876       18.5936   18.2873
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.8203                 0.0665                 0.7466
  Dep-P Fr= 1--      0.7435                 0.6949                 0.7442
  Dep-U Fr= 1--      0.8529                 0.8200                 0.8533
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0001
 Beta2  Fr= 1--      0.2587                 0.0091                 0.1062
 AlphaG Fr= 1--     -0.0066                -0.0002                 0.0001
 Gamma2 Fr= 1--     -0.0821                -0.0325                 0.3491
 Delta2 Fr= 1--     -0.0986                 0.0092                -0.0113
 Raman1 Fr= 1--       7.281                  0.266                  2.986
 ROA1   Fr= 1--     -11.038                 -2.824                 33.156
 CID1   Fr= 1--      -1.516                -10.611                 11.102
 Raman2 Fr= 1--       3.105                  0.109                  1.274
 ROA2   Fr= 1--      -1.183                 -0.853                  8.469
 CID2   Fr= 1--      -0.381                 -7.816                  6.647
 Raman3 Fr= 1--       6.210                  0.218                  2.548
 ROA3   Fr= 1--     -11.038                 -2.824                 33.156
 CID3   Fr= 1--      -1.778                -12.941                 13.011
 RC180  Fr= 1--       0.706                  0.640                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.3014                 0.2891                 1.8330
  Dep-P Fr= 1--      0.7483                 0.7484                 0.6025
  Dep-U Fr= 1--      0.8560                 0.8561                 0.7519
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0050
 Beta2  Fr= 1--      0.0430                 0.0412                 0.2297
 AlphaG Fr= 1--     -0.0008                -0.0010                 0.0008
 Gamma2 Fr= 1--     -0.2950                 0.2883                 0.1396
 Delta2 Fr= 1--      0.0739                 0.0097                 0.0103
 Raman1 Fr= 1--       1.205                  1.156                  7.332
 ROA1   Fr= 1--     -25.959                 27.990                 13.735
 CID1   Fr= 1--     -21.535                 24.208                  1.873
 Raman2 Fr= 1--       0.516                  0.495                  2.757
 ROA2   Fr= 1--      -7.672                  6.843                  3.268
 CID2   Fr= 1--     -14.871                 13.827                  1.186
 Raman3 Fr= 1--       1.032                  0.990                  5.513
 ROA3   Fr= 1--     -25.959                 27.990                 13.735
 CID3   Fr= 1--     -25.157                 28.277                  2.491
 RC180  Fr= 1--       0.712                  0.712                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.2564                 0.2447                 1.2470
  Dep-P Fr= 1--      0.7001                 0.6024                 0.7380
  Dep-U Fr= 1--      0.8236                 0.7519                 0.8493
 Alpha2 Fr= 1--      0.0011                 0.0007                 0.0003
 Beta2  Fr= 1--      0.1725                 0.0307                 0.1765
 AlphaG Fr= 1--      0.0152                -0.0068                -0.0010
 Gamma2 Fr= 1--      0.0191                -0.1010                -0.8908
 Delta2 Fr= 1--      0.0530                 0.0028                -0.0730
 Raman1 Fr= 1--       5.026                  0.979                  4.988
 ROA1   Fr= 1--       3.531                 -9.609                -87.854
 CID1   Fr= 1--       0.703                 -9.819                -17.613
 Raman2 Fr= 1--       2.070                  0.368                  2.118
 ROA2   Fr= 1--       0.035                 -2.447                -20.795
 CID2   Fr= 1--       0.017                 -6.652                 -9.818
 Raman3 Fr= 1--       4.139                  0.736                  4.236
 ROA3   Fr= 1--       3.531                 -9.609                -87.854
 CID3   Fr= 1--       0.853                -13.060                -20.739
 RC180  Fr= 1--       0.647                  0.504                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.6168                 0.8940                 2.3011
  Dep-P Fr= 1--      0.1368                 0.6840                 0.3818
  Dep-U Fr= 1--      0.2407                 0.8124                 0.5526
 Alpha2 Fr= 1--      0.0258                 0.0010                 0.0182
 Beta2  Fr= 1--      0.0649                 0.1210                 0.2119
 AlphaG Fr= 1--      0.0355                -0.0047                 0.0102
 Gamma2 Fr= 1--     -0.0341                -0.2625                -0.0484
 Delta2 Fr= 1--      0.0183                 0.0122                -0.1369
 Raman1 Fr= 1--       6.467                  3.576                  9.204
 ROA1   Fr= 1--      -2.687                -24.806                 -9.031
 CID1   Fr= 1--      -0.416                 -6.937                 -0.981
 Raman2 Fr= 1--       0.778                  1.453                  2.543
 ROA2   Fr= 1--      -0.964                 -6.397                 -0.068
 CID2   Fr= 1--      -1.238                 -4.404                 -0.027
 Raman3 Fr= 1--       1.557                  2.905                  5.086
 ROA3   Fr= 1--      -2.687                -24.806                 -9.031
 CID3   Fr= 1--      -1.726                 -8.539                 -1.776
 RC180  Fr= 1--      -0.519                  0.625                  0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.0220                 4.6652                 2.6058
  Dep-P Fr= 1--      0.4871                 0.1550                 0.5265
  Dep-U Fr= 1--      0.6551                 0.2685                 0.6898
 Alpha2 Fr= 1--      0.0106                 0.0712                 0.0113
 Beta2  Fr= 1--      0.2208                 0.2087                 0.2996
 AlphaG Fr= 1--     -0.0209                -0.0207                 0.0059
 Gamma2 Fr= 1--      0.5829                -0.9954                 1.1169
 Delta2 Fr= 1--      0.1301                -0.6343                 0.8786
 Raman1 Fr= 1--       8.088                 18.661                 10.423
 ROA1   Fr= 1--      60.125               -115.858                135.334
 CID1   Fr= 1--       7.434                 -6.209                 12.984
 Raman2 Fr= 1--       2.649                  2.505                  3.595
 ROA2   Fr= 1--      12.950                -18.815                 19.776
 CID2   Fr= 1--       4.889                 -7.512                  5.501
 Raman3 Fr= 1--       5.298                  5.010                  7.190
 ROA3   Fr= 1--      60.125               -115.858                135.334
 CID3   Fr= 1--      11.349                -23.126                 18.823
 RC180  Fr= 1--       0.310                 -0.463                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     16.0710                 5.7616                 0.7530
  Dep-P Fr= 1--      0.0130                 0.1522                 0.6302
  Dep-U Fr= 1--      0.0257                 0.2642                 0.7731
 Alpha2 Fr= 1--      0.3464                 0.0886                 0.0016
 Beta2  Fr= 1--      0.0689                 0.2537                 0.0970
 AlphaG Fr= 1--      0.0797                 0.0476                -0.0491
 Gamma2 Fr= 1--      0.6650                 2.1488                -2.5314
 Delta2 Fr= 1--      0.2184                -0.1329                -1.2387
 Raman1 Fr= 1--      64.284                 23.046                  3.012
 ROA1   Fr= 1--      70.828                202.036               -282.650
 CID1   Fr= 1--       1.102                  8.767                -93.836
 Raman2 Fr= 1--       0.827                  3.045                  1.164
 ROA2   Fr= 1--      14.213                 52.635                -50.843
 CID2   Fr= 1--      17.195                 17.287                -43.664
 Raman3 Fr= 1--       1.653                  6.089                  2.329
 ROA3   Fr= 1--      70.828                202.036               -282.650
 CID3   Fr= 1--      42.844                 33.178               -121.369
 RC180  Fr= 1--      -0.949                 -0.472                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.5360                 7.3689                 2.1425
  Dep-P Fr= 1--      0.7479                 0.4224                 0.5781
  Dep-U Fr= 1--      0.8558                 0.5939                 0.7327
 Alpha2 Fr= 1--      0.0001                 0.0503                 0.0069
 Beta2  Fr= 1--      0.5044                 0.7294                 0.2616
 AlphaG Fr= 1--     -0.0051                 0.0466                 0.0292
 Gamma2 Fr= 1--     -0.8071                -0.2648                -1.9013
 Delta2 Fr= 1--      0.4406                 0.2964                -0.3112
 Raman1 Fr= 1--      14.144                 29.476                  8.570
 ROA1   Fr= 1--     -63.384                -15.933               -192.487
 CID1   Fr= 1--      -4.481                 -0.541                -22.461
 Raman2 Fr= 1--       6.052                  8.753                  3.139
 ROA2   Fr= 1--     -22.896                 -8.725                -43.142
 CID2   Fr= 1--      -3.783                 -0.997                -13.742
 Raman3 Fr= 1--      12.104                 17.506                  6.279
 ROA3   Fr= 1--     -63.384                -15.933               -192.487
 CID3   Fr= 1--      -5.236                 -0.910                -30.657
 RC180  Fr= 1--       0.712                  0.188                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.6731                 1.8777                 4.1853
  Dep-P Fr= 1--      0.1636                 0.7495                 0.5965
  Dep-U Fr= 1--      0.2812                 0.8568                 0.7473
 Alpha2 Fr= 1--      0.0698                 0.0000                 0.0119
 Beta2  Fr= 1--      0.2190                 0.2681                 0.5212
 AlphaG Fr= 1--     -0.0308                 0.0005                -0.0188
 Gamma2 Fr= 1--      0.5403                 1.7182                -0.5259
 Delta2 Fr= 1--      0.4508                -0.0808                 0.5029
 Raman1 Fr= 1--      18.692                  7.511                 16.741
 ROA1   Fr= 1--      66.293                162.363                -34.394
 CID1   Fr= 1--       3.547                 21.618                 -2.054
 Raman2 Fr= 1--       2.628                  3.218                  6.255
 ROA2   Fr= 1--       9.360                 41.883                -16.645
 CID2   Fr= 1--       3.561                 13.016                 -2.661
 Raman3 Fr= 1--       5.256                  6.435                 12.510
 ROA3   Fr= 1--      66.293                162.363                -34.394
 CID3   Fr= 1--      12.612                 25.229                 -2.749
 RC180  Fr= 1--      -0.438                  0.714                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.3021                 2.6578                 1.4064
  Dep-P Fr= 1--      0.4358                 0.7334                 0.6446
  Dep-U Fr= 1--      0.6071                 0.8462                 0.7839
 Alpha2 Fr= 1--      0.0279                 0.0008                 0.0027
 Beta2  Fr= 1--      0.4353                 0.3748                 0.1837
 AlphaG Fr= 1--     -0.0231                 0.0049                -0.0241
 Gamma2 Fr= 1--      1.8743                 0.1638                 0.2001
 Delta2 Fr= 1--      0.9175                -0.9833                -0.1523
 Raman1 Fr= 1--      17.208                 10.631                  5.626
 ROA1   Fr= 1--     209.291                -15.738                 14.335
 CID1   Fr= 1--      12.162                 -1.480                  2.548
 Raman2 Fr= 1--       5.223                  4.498                  2.205
 ROA2   Fr= 1--      37.643                 11.798                  6.020
 CID2   Fr= 1--       7.207                  2.623                  2.730
 Raman3 Fr= 1--      10.446                  8.996                  4.410
 ROA3   Fr= 1--     209.291                -15.738                 14.335
 CID3   Fr= 1--      20.035                 -1.749                  3.251
 RC180  Fr= 1--       0.214                  0.692                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.3702                 5.7745                 1.1858
  Dep-P Fr= 1--      0.1104                 0.1768                 0.6079
  Dep-U Fr= 1--      0.1988                 0.3004                 0.7562
 Alpha2 Fr= 1--      0.0575                 0.0833                 0.0031
 Beta2  Fr= 1--      0.1116                 0.2891                 0.1494
 AlphaG Fr= 1--      0.0585                 0.0761                -0.0466
 Gamma2 Fr= 1--      0.8102                 0.5780                -1.0859
 Delta2 Fr= 1--      0.1836                -0.1819                 0.2163
 Raman1 Fr= 1--      13.481                 23.098                  4.743
 ROA1   Fr= 1--      83.658                 49.664                -97.328
 CID1   Fr= 1--       6.206                  2.150                -20.520
 Raman2 Fr= 1--       1.340                  3.470                  1.793
 ROA2   Fr= 1--      17.976                 15.327                -27.793
 CID2   Fr= 1--      13.417                  4.418                -15.498
 Raman3 Fr= 1--       2.680                  6.939                  3.587
 ROA3   Fr= 1--      83.658                 49.664                -97.328
 CID3   Fr= 1--      31.221                  7.157                -27.137
 RC180  Fr= 1--      -0.602                 -0.399                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.2250                 6.3772                 0.5641
  Dep-P Fr= 1--      0.4699                 0.3576                 0.7159
  Dep-U Fr= 1--      0.6393                 0.5268                 0.8344
 Alpha2 Fr= 1--      0.0069                 0.0546                 0.0003
 Beta2  Fr= 1--      0.1305                 0.5599                 0.0784
 AlphaG Fr= 1--      0.0239                -0.0550                -0.0021
 Gamma2 Fr= 1--     -0.7982                 1.1340                -0.6957
 Delta2 Fr= 1--     -1.1315                 0.9056                 0.1585
 Raman1 Fr= 1--       4.900                 25.509                  2.256
 ROA1   Fr= 1--    -112.832                137.845                -61.714
 CID1   Fr= 1--     -23.028                  5.404                -27.352
 Raman2 Fr= 1--       1.566                  6.719                  0.941
 ROA2   Fr= 1--     -10.104                 19.972                -17.965
 CID2   Fr= 1--      -6.451                  2.973                -19.084
 Raman3 Fr= 1--       3.133                 13.437                  1.883
 ROA3   Fr= 1--    -112.832                137.845                -61.714
 CID3   Fr= 1--     -36.018                 10.258                -32.780
 RC180  Fr= 1--       0.279                  0.054                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      6.6635                 8.2213                 5.6178
  Dep-P Fr= 1--      0.5432                 0.7183                 0.6377
  Dep-U Fr= 1--      0.7040                 0.8361                 0.7787
 Alpha2 Fr= 1--      0.0265                 0.0045                 0.0114
 Beta2  Fr= 1--      0.7818                 1.1456                 0.7291
 AlphaG Fr= 1--     -0.0038                -0.0226                 0.0054
 Gamma2 Fr= 1--     -1.7357                 1.7681                -0.6056
 Delta2 Fr= 1--      0.1839                 0.5695                 0.1957
 Raman1 Fr= 1--      26.654                 32.885                 22.471
 ROA1   Fr= 1--    -160.740                187.960                -51.875
 CID1   Fr= 1--      -6.031                  5.716                 -2.309
 Raman2 Fr= 1--       9.382                 13.748                  8.750
 ROA2   Fr= 1--     -43.128                 37.878                -16.099
 CID2   Fr= 1--      -4.597                  2.755                 -1.840
 Raman3 Fr= 1--      18.763                 27.495                 17.500
 ROA3   Fr= 1--    -160.740                187.960                -51.875
 CID3   Fr= 1--      -8.567                  6.836                 -2.964
 RC180  Fr= 1--       0.408                  0.672                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.6462                 1.4675                 5.9675
  Dep-P Fr= 1--      0.7408                 0.3930                 0.2034
  Dep-U Fr= 1--      0.8511                 0.5643                 0.3380
 Alpha2 Fr= 1--      0.0006                 0.0111                 0.0803
 Beta2  Fr= 1--      0.5172                 0.1380                 0.3362
 AlphaG Fr= 1--     -0.0037                -0.0264                 0.0325
 Gamma2 Fr= 1--      0.0796                -1.3740                 1.3726
 Delta2 Fr= 1--      0.6953                -0.3741                -0.9978
 Raman1 Fr= 1--      14.585                  5.870                 23.870
 ROA1   Fr= 1--      29.893               -143.875                 99.840
 CID1   Fr= 1--       2.050                -24.510                  4.183
 Raman2 Fr= 1--       6.207                  1.656                  4.034
 ROA2   Fr= 1--      -3.652                -29.984                 40.924
 CID2   Fr= 1--      -0.588                -18.105                 10.144
 Raman3 Fr= 1--      12.413                  3.312                  8.069
 ROA3   Fr= 1--      29.893               -143.875                 99.840
 CID3   Fr= 1--       2.408                -43.439                 12.373
 RC180  Fr= 1--       0.702                  0.129                 -0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2888                 9.1750                 6.4006
  Dep-P Fr= 1--      0.3862                 0.4431                 0.7066
  Dep-U Fr= 1--      0.5573                 0.6141                 0.8281
 Alpha2 Fr= 1--      0.0022                 0.0578                 0.0048
 Beta2  Fr= 1--      0.0268                 0.9391                 0.8834
 AlphaG Fr= 1--      0.0001                 0.0027                -0.0015
 Gamma2 Fr= 1--      0.2549                 1.2906                -0.0775
 Delta2 Fr= 1--      0.1168                 0.0149                -1.0478
 Raman1 Fr= 1--       1.155                 36.700                 25.602
 ROA1   Fr= 1--      28.210                124.372                -40.966
 CID1   Fr= 1--      24.416                  3.389                 -1.600
 Raman2 Fr= 1--       0.322                 11.269                 10.600
 ROA2   Fr= 1--       5.183                 30.854                  6.524
 CID2   Fr= 1--      16.101                  2.738                  0.615
 Raman3 Fr= 1--       0.644                 22.537                 21.201
 ROA3   Fr= 1--      28.210                124.372                -40.966
 CID3   Fr= 1--      43.814                  5.518                 -1.932
 RC180  Fr= 1--       0.115                  0.228                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--     10.4520                 2.2339                 0.1684
  Dep-P Fr= 1--      0.2382                 0.7024                 0.4228
  Dep-U Fr= 1--      0.3847                 0.8252                 0.5943
 Alpha2 Fr= 1--      0.1280                 0.0018                 0.0011
 Beta2  Fr= 1--      0.6701                 0.3072                 0.0167
 AlphaG Fr= 1--      0.0753                -0.0044                -0.0040
 Gamma2 Fr= 1--      1.9187                -0.7399                 0.1018
 Delta2 Fr= 1--      1.0718                -0.5615                -0.0102
 Raman1 Fr= 1--      41.808                  8.936                  0.673
 ROA1   Fr= 1--     218.495                -88.999                  9.443
 CID1   Fr= 1--       5.226                 -9.960                 14.023
 Raman2 Fr= 1--       8.042                  3.687                  0.200
 ROA2   Fr= 1--      37.476                -13.266                  2.523
 CID2   Fr= 1--       4.660                 -3.598                 12.610
 Raman3 Fr= 1--      16.083                  7.374                  0.400
 ROA3   Fr= 1--     218.495                -88.999                  9.443
 CID3   Fr= 1--      13.585                -12.069                 23.596
 RC180  Fr= 1--      -0.231                  0.650                  0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--     11.1191                 0.1342                 6.2989
  Dep-P Fr= 1--      0.3594                 0.1512                 0.7280
  Dep-U Fr= 1--      0.5288                 0.2626                 0.8426
 Alpha2 Fr= 1--      0.0947                 0.0021                 0.0024
 Beta2  Fr= 1--      0.9799                 0.0059                 0.8846
 AlphaG Fr= 1--     -0.0003                -0.0005                -0.0359
 Gamma2 Fr= 1--      0.3884                 0.0113                -0.1382
 Delta2 Fr= 1--      0.2799                 0.0107                 0.0670
 Raman1 Fr= 1--      44.476                  0.537                 25.196
 ROA1   Fr= 1--      46.240                  1.425                -11.128
 CID1   Fr= 1--       1.040                  2.656                 -0.442
 Raman2 Fr= 1--      11.759                  0.070                 10.615
 ROA2   Fr= 1--       7.082                  0.184                 -3.854
 CID2   Fr= 1--       0.602                  2.616                 -0.363
 Raman3 Fr= 1--      23.517                  0.141                 21.230
 ROA3   Fr= 1--      46.240                  1.425                -11.128
 CID3   Fr= 1--       1.966                 10.113                 -0.524
 RC180  Fr= 1--       0.058                 -0.475                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     25.7120                 1.2304                14.7595
  Dep-P Fr= 1--      0.5473                 0.5477                 0.4725
  Dep-U Fr= 1--      0.7074                 0.7077                 0.6417
 Alpha2 Fr= 1--      0.0998                 0.0048                 0.0824
 Beta2  Fr= 1--      3.0314                 0.1451                 1.5787
 AlphaG Fr= 1--      0.0799                -0.0088                -0.0607
 Gamma2 Fr= 1--     -6.4176                 1.2114                 3.8220
 Delta2 Fr= 1--     -4.8504                 0.4017                 2.6186
 Raman1 Fr= 1--     102.848                  4.922                 59.038
 ROA1   Fr= 1--    -771.306                129.152                450.707
 CID1   Fr= 1--      -7.499                 26.242                  7.634
 Raman2 Fr= 1--      36.377                  1.742                 18.944
 ROA2   Fr= 1--    -115.219                 25.860                 70.778
 CID2   Fr= 1--      -3.167                 14.849                  3.736
 Raman3 Fr= 1--      72.753                  3.483                 37.888
 ROA3   Fr= 1--    -771.306                129.152                450.707
 CID3   Fr= 1--     -10.602                 37.080                 11.896
 RC180  Fr= 1--       0.415                  0.415                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      3.1331                 7.1664                 4.5642
  Dep-P Fr= 1--      0.6544                 0.6812                 0.7472
  Dep-U Fr= 1--      0.7911                 0.8104                 0.8553
 Alpha2 Fr= 1--      0.0054                 0.0087                 0.0002
 Beta2  Fr= 1--      0.4131                 0.9679                 0.6506
 AlphaG Fr= 1--     -0.0138                 0.0080                -0.0006
 Gamma2 Fr= 1--      0.6612                -1.1204                 0.2604
 Delta2 Fr= 1--      0.3819                 0.1849                -0.3810
 Raman1 Fr= 1--      12.532                 28.666                 18.257
 ROA1   Fr= 1--      75.702               -101.640                 12.808
 CID1   Fr= 1--       6.041                 -3.546                  0.702
 Raman2 Fr= 1--       4.957                 11.615                  7.808
 ROA2   Fr= 1--      12.814                -28.369                  9.298
 CID2   Fr= 1--       2.585                 -2.442                  1.191
 Raman3 Fr= 1--       9.914                 23.230                 15.615
 ROA3   Fr= 1--      75.702               -101.640                 12.808
 CID3   Fr= 1--       7.636                 -4.375                  0.820
 RC180  Fr= 1--       0.582                  0.621                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      4.2797                49.6846               202.2874
  Dep-P Fr= 1--      0.6167                 0.1316                 0.1519
  Dep-U Fr= 1--      0.7629                 0.2326                 0.2638
 Alpha2 Fr= 1--      0.0105                 0.8045                 3.1119
 Beta2  Fr= 1--      0.5442                 1.9262                 8.8928
 AlphaG Fr= 1--     -0.0105                 0.0123                 0.2784
 Gamma2 Fr= 1--     -1.1401                -1.0780                -3.6564
 Delta2 Fr= 1--      0.0231                -0.2164                -1.3242
 Raman1 Fr= 1--      17.119                198.739                809.150
 ROA1   Fr= 1--    -108.714               -110.415               -393.390
 CID1   Fr= 1--      -6.351                 -0.556                 -0.486
 Raman2 Fr= 1--       6.530                 23.115                106.714
 ROA2   Fr= 1--     -27.549                -24.142                -77.160
 CID2   Fr= 1--      -4.219                 -1.044                 -0.723
 Raman3 Fr= 1--      13.060                 46.230                213.428
 ROA3   Fr= 1--    -108.714               -110.415               -393.390
 CID3   Fr= 1--      -8.324                 -2.388                 -1.843
 RC180  Fr= 1--       0.526                 -0.535                 -0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    255.5445               127.9508                17.9335
  Dep-P Fr= 1--      0.0520                 0.6801                 0.4506
  Dep-U Fr= 1--      0.0988                 0.8096                 0.6213
 Alpha2 Fr= 1--      5.0243                 0.1578                 0.1097
 Beta2  Fr= 1--      4.2070                17.2642                 1.8570
 AlphaG Fr= 1--     -0.1472                 0.5852                 0.0010
 Gamma2 Fr= 1--     -1.4988                11.6995                -1.1934
 Delta2 Fr= 1--      1.9565                -1.2086                 1.0652
 Raman1 Fr= 1--    1022.178                511.803                 71.734
 ROA1   Fr= 1--     -81.276               1084.475                -80.475
 CID1   Fr= 1--      -0.080                  2.119                 -1.122
 Raman2 Fr= 1--      50.484                207.171                 22.283
 ROA2   Fr= 1--     -51.622                290.456                -37.163
 CID2   Fr= 1--      -1.023                  1.402                 -1.668
 Raman3 Fr= 1--     100.969                414.341                 44.567
 ROA3   Fr= 1--     -81.276               1084.475                -80.475
 CID3   Fr= 1--      -0.805                  2.617                 -1.806
 RC180  Fr= 1--      -0.802                  0.619                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    298.0812                94.5750               168.6820
  Dep-P Fr= 1--      0.0321                 0.7421                 0.2866
  Dep-U Fr= 1--      0.0621                 0.8520                 0.4455
 Alpha2 Fr= 1--      6.1440                 0.0127                 1.8003
 Beta2  Fr= 1--      3.0857                13.4293                12.5243
 AlphaG Fr= 1--      0.0431                -0.2461                 0.4165
 Gamma2 Fr= 1--      3.7741                -2.8726                10.3822
 Delta2 Fr= 1--      0.3765                -2.9925                 5.5528
 Raman1 Fr= 1--    1192.325                378.300                674.728
 ROA1   Fr= 1--     374.360               -371.534               1174.378
 CID1   Fr= 1--       0.314                 -0.982                  1.741
 Raman2 Fr= 1--      37.028                161.151                150.291
 ROA2   Fr= 1--      87.566                -45.004                204.749
 CID2   Fr= 1--       2.365                 -0.279                  1.362
 Raman3 Fr= 1--      74.057                322.303                300.583
 ROA3   Fr= 1--     374.360               -371.534               1174.378
 CID3   Fr= 1--       5.055                 -1.153                  3.907
 RC180  Fr= 1--      -0.876                  0.704                 -0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     75.0643                24.5521               243.9270
  Dep-P Fr= 1--      0.5614                 0.7493                 0.0173
  Dep-U Fr= 1--      0.7191                 0.8567                 0.0339
 Alpha2 Fr= 1--      0.2687                 0.0003                 5.2060
 Beta2  Fr= 1--      8.9964                 3.5055                 1.3795
 AlphaG Fr= 1--      0.0592                 0.0030                -1.2471
 Gamma2 Fr= 1--    -17.7220                 9.3499                -5.7763
 Delta2 Fr= 1--    -10.8999                 5.1076                 0.1127
 Raman1 Fr= 1--     300.257                 98.209                975.708
 ROA1   Fr= 1--   -2050.112               1061.034               -550.915
 CID1   Fr= 1--      -6.828                 10.804                 -0.565
 Raman2 Fr= 1--     107.957                 42.066                 16.554
 ROA2   Fr= 1--    -338.129                183.537               -139.532
 CID2   Fr= 1--      -3.132                  4.363                 -8.429
 Raman3 Fr= 1--     215.913                 84.133                 33.108
 ROA3   Fr= 1--   -2050.112               1061.034               -550.915
 CID3   Fr= 1--      -9.495                 12.611                -16.640
 RC180  Fr= 1--       0.438                  0.713                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    143.1541                88.4264                26.5220
  Dep-P Fr= 1--      0.7274                 0.6899                 0.6654
  Dep-U Fr= 1--      0.8422                 0.8165                 0.7991
 Alpha2 Fr= 1--      0.0555                 0.0932                 0.0399
 Beta2  Fr= 1--     20.0937                12.0329                 3.5321
 AlphaG Fr= 1--      0.0278                 0.1198                -0.0069
 Gamma2 Fr= 1--     -4.7704                 0.9760                -0.0776
 Delta2 Fr= 1--      0.5944                 0.8042                -1.2701
 Raman1 Fr= 1--     572.617                353.706                106.088
 ROA1   Fr= 1--    -438.938                119.425                -48.091
 CID1   Fr= 1--      -0.767                  0.338                 -0.453
 Raman2 Fr= 1--     241.125                144.395                 42.386
 ROA2   Fr= 1--    -119.245                 16.990                  8.299
 CID2   Fr= 1--      -0.495                  0.118                  0.196
 Raman3 Fr= 1--     482.250                288.790                 84.772
 ROA3   Fr= 1--    -438.938                119.425                -48.091
 CID3   Fr= 1--      -0.910                  0.414                 -0.567
 RC180  Fr= 1--       0.684                  0.633                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     50.6976               112.0620               168.5374
  Dep-P Fr= 1--      0.4830                 0.4958                 0.2489
  Dep-U Fr= 1--      0.6514                 0.6630                 0.3987
 Alpha2 Fr= 1--      0.2705                 0.5642                 2.0034
 Beta2  Fr= 1--      5.5038                12.3821                11.1980
 AlphaG Fr= 1--      0.3843                -0.0235                -0.1270
 Gamma2 Fr= 1--      4.6530                -1.5371                 1.2347
 Delta2 Fr= 1--     -0.2223                 1.7163                 1.3208
 Raman1 Fr= 1--     202.791                448.248                674.150
 ROA1   Fr= 1--     439.578                -92.638                160.802
 CID1   Fr= 1--       2.168                 -0.207                  0.239
 Raman2 Fr= 1--      66.046                148.585                134.376
 ROA2   Fr= 1--     113.451                -50.620                 19.067
 CID2   Fr= 1--       1.718                 -0.341                  0.142
 Raman3 Fr= 1--     132.091                297.170                268.753
 ROA3   Fr= 1--     439.578                -92.638                160.802
 CID3   Fr= 1--       3.328                 -0.312                  0.598
 RC180  Fr= 1--       0.303                  0.326                 -0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.122840D+03 -0.572682D+00  0.440514D+00
      2  -0.572682D+00  0.119706D+03  0.482368D+01
      3   0.440514D+00  0.482368D+01  0.106976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.307069D+00  0.295911D+01  0.521639D+01
      2   0.416806D+01  0.161642D+02 -0.331790D+01
      3   0.815323D+01 -0.244365D+02 -0.151796D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.124687D+02 -0.401389D+02  0.689806D+00
      2   0.536177D+01  0.208098D+02  0.812791D+01
      3  -0.178305D+02  0.193291D+02 -0.881772D+01
      4  -0.404958D+02  0.363249D+02  0.274106D+02
      5   0.136151D+02  0.247576D+02 -0.198054D+02
      6   0.102731D+02  0.189655D+02  0.684945D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374168D+01  0.311110D+00 -0.166410D+01  0.231150D+01 -0.106580D+01
      2   0.311110D+00 -0.106604D+01 -0.262240D+01 -0.106580D+01  0.163328D+02
      3  -0.166410D+01 -0.262240D+01 -0.224576D+01 -0.203914D+01  0.325388D+01
                 6             7             8             9            10 
      1  -0.203914D+01 -0.126369D+01 -0.328911D+01 -0.185128D+01  0.100917D+01
      2   0.325388D+01 -0.328911D+01  0.209568D+01  0.379091D+01  0.493972D+00
      3   0.288785D+01 -0.185128D+01  0.379091D+01  0.547565D+01  0.399686D+00
                11            12            13            14            15 
      1   0.493972D+00  0.399686D+00  0.129514D+01  0.362343D+00  0.211966D+01
      2   0.113907D+01  0.341299D+01  0.362343D+00 -0.119700D+02  0.469856D+00
      3   0.341299D+01  0.287212D+01  0.211966D+01  0.469856D+00 -0.139182D+01
                16            17            18            19            20 
      1   0.103873D+01  0.318760D+01  0.290219D+01  0.248398D+01 -0.298059D+01
      2   0.318760D+01  0.230103D+01 -0.401544D+01 -0.298059D+01  0.155124D+01
      3   0.290219D+01 -0.401544D+01 -0.588298D+01 -0.594643D+00  0.118790D+01
                21            22            23            24            25 
      1  -0.594643D+00 -0.304501D+01  0.179732D+01  0.139451D+01 -0.120124D+01
      2   0.118790D+01  0.179732D+01 -0.164156D+02 -0.436760D+01  0.771035D+00
      3   0.764667D+00  0.139451D+01 -0.436760D+01 -0.399385D+01  0.152015D+01
                26            27            28            29            30 
      1   0.771035D+00  0.152015D+01 -0.517467D+01 -0.293366D+00 -0.116132D+01
      2  -0.434328D+01 -0.400772D+01 -0.293366D+00 -0.698185D+00 -0.280118D+01
      3  -0.400772D+01 -0.450766D+01 -0.116132D+01 -0.280118D+01 -0.262925D+01
                31            32            33            34            35 
      1  -0.195201D+01 -0.294130D+01 -0.278661D+01 -0.132472D+01 -0.294589D+01
      2  -0.294130D+01  0.103626D+02 -0.258619D+00 -0.294589D+01 -0.712754D+00
      3  -0.278661D+01 -0.258619D+00  0.174247D+01 -0.449725D+01  0.403770D+01
                36            37            38            39            40 
      1  -0.449725D+01  0.493330D+01  0.190762D+01 -0.266287D+01 -0.211076D+01
      2   0.403770D+01  0.190762D+01  0.956261D+00 -0.971738D+00 -0.474945D-01
      3   0.486526D+01 -0.266287D+01 -0.971738D+00  0.361382D+01 -0.202784D+01
                41            42            43            44            45 
      1  -0.474945D-01 -0.202784D+01 -0.610562D+01 -0.124282D+01  0.256874D+01
      2   0.429579D+01  0.401892D+01 -0.124282D+01  0.343017D+01  0.337750D+00
      3   0.401892D+01 -0.167268D+01  0.256874D+01  0.337750D+00  0.541479D+00
                46            47            48            49            50 
      1  -0.411493D+01  0.126029D+01  0.501755D+01  0.353786D+01 -0.165521D+01
      2   0.126029D+01 -0.150848D+01  0.658031D+00 -0.165521D+01 -0.796425D+01
      3   0.501755D+01  0.658031D+00 -0.184385D+01  0.116568D+01  0.170046D+01
                51            52            53            54            55 
      1   0.116568D+01  0.797713D+01  0.118671D+01 -0.157428D+01  0.280359D+01
      2   0.170046D+01  0.118671D+01  0.258794D+01  0.149079D+01 -0.395285D+01
      3   0.108207D+01 -0.157428D+01  0.149079D+01 -0.262330D+01 -0.147975D+01
                56            57            58            59            60 
      1  -0.395285D+01 -0.147975D+01 -0.365260D+01  0.482437D+01 -0.176358D+01
      2   0.454002D+01 -0.151590D+01  0.482437D+01  0.353170D+01 -0.262310D+01
      3  -0.151590D+01 -0.156972D+01 -0.176358D+01 -0.262310D+01  0.306401D+01
                61            62            63            64            65 
      1  -0.168354D+01 -0.178959D+01 -0.173075D+01  0.409507D+00 -0.994024D+00
      2  -0.178959D+01 -0.331056D+01  0.167114D+01 -0.994024D+00 -0.237192D+01
      3  -0.173075D+01  0.167114D+01  0.339671D+01  0.357433D+01  0.388317D+01
                66            67            68            69            70 
      1   0.357433D+01  0.554693D+00 -0.192144D+01  0.464252D+01  0.319035D+01
      2   0.388317D+01 -0.192144D+01  0.121293D+01 -0.105076D+01  0.294185D+01
      3   0.890904D+00  0.464252D+01 -0.105076D+01 -0.828415D+00  0.112410D+01
                71            72            73            74            75 
      1   0.294185D+01  0.112410D+01  0.801236D+01  0.266456D+01  0.338114D+01
      2  -0.655972D+00 -0.145615D+01  0.266456D+01  0.131343D+01  0.136553D+01
      3  -0.145615D+01 -0.428399D+00  0.338114D+01  0.136553D+01  0.231741D+01
                76            77            78            79            80 
      1   0.201512D+01  0.139939D+01  0.933849D+00  0.340284D+01  0.168049D+01
      2   0.139939D+01  0.212023D+01  0.153169D+01  0.168049D+01  0.206214D+01
      3   0.933849D+00  0.153169D+01  0.130782D+01  0.235182D+01  0.884583D+00
                81            82            83            84            85 
      1   0.235182D+01  0.884663D+00  0.146231D+01 -0.381938D+00  0.144829D+01
      2   0.884583D+00  0.146231D+01  0.212629D+01 -0.296776D+00  0.110266D+01
      3   0.141345D+01 -0.381938D+00 -0.296776D+00 -0.149938D+00 -0.314859D+00
                86            87            88            89            90 
      1   0.110266D+01 -0.314859D+00 -0.810007D+00 -0.742505D+00 -0.124537D+00
      2   0.137905D+02 -0.912726D+00 -0.742505D+00 -0.380147D+01  0.218356D+01
      3  -0.912726D+00  0.100559D+01 -0.124537D+00  0.218356D+01 -0.714614D-01
                91            92            93            94            95 
      1  -0.130073D+01  0.747484D+00  0.143182D+01  0.217718D+00 -0.723804D+00
      2   0.747484D+00 -0.872084D+00 -0.123028D+01 -0.723804D+00  0.371379D+01
      3   0.143182D+01 -0.123028D+01 -0.185004D+01 -0.534500D+00  0.209108D+01
                96            97            98            99           100 
      1  -0.534500D+00  0.164974D+01 -0.151462D+01 -0.177194D+01  0.894879D+01
      2   0.209108D+01 -0.151462D+01  0.370544D+01  0.450416D+01 -0.798016D-01
      3   0.173871D+01 -0.177194D+01  0.450416D+01  0.834446D+01  0.215910D+01
               101           102           103           104           105 
      1  -0.798016D-01  0.215910D+01  0.299528D+01  0.585049D+00  0.669440D+00
      2   0.796674D+00  0.110916D+00  0.585049D+00  0.327409D+00  0.488397D+00
      3   0.110916D+00  0.158701D+01  0.669440D+00  0.488397D+00  0.455958D+00
               106           107           108           109           110 
      1   0.384160D+01 -0.153524D+00  0.220452D+01  0.241446D+01 -0.937209D+00
      2  -0.153524D+00  0.807455D+00 -0.226700D+00 -0.937209D+00  0.398805D+00
      3   0.220452D+01 -0.226700D+00  0.112120D+01 -0.166460D+01  0.997050D+00
               111           112           113           114           115 
      1  -0.166460D+01 -0.824363D+00  0.183608D+01  0.110172D+01 -0.377179D+01
      2   0.997050D+00  0.183608D+01 -0.334747D+01 -0.161307D+01  0.304488D+01
      3   0.173732D+01  0.110172D+01 -0.161307D+01 -0.163223D+01  0.369467D+01
               116           117           118           119           120 
      1   0.304488D+01  0.369467D+01 -0.363857D+00 -0.407953D+00  0.510622D+00
      2  -0.332245D+01 -0.369322D+01 -0.407953D+00 -0.195970D+01  0.432000D+00
      3  -0.369322D+01 -0.735031D+01  0.510622D+00  0.432000D+00 -0.104015D+00
               121           122           123           124           125 
      1  -0.199674D+01  0.206873D+01  0.311327D+00  0.968504D+00 -0.165277D+00
      2   0.206873D+01 -0.106518D+02  0.175200D+01 -0.165277D+00  0.318776D+01
      3   0.311327D+00  0.175200D+01 -0.142943D+01  0.771112D+00 -0.236385D+01
               126           127           128           129           130 
      1   0.771112D+00  0.385767D+00 -0.104506D+01 -0.766016D-01 -0.164473D+01
      2  -0.236385D+01 -0.104506D+01 -0.327697D+00  0.111942D+00  0.777255D+00
      3   0.573526D+00 -0.766016D-01  0.111942D+00 -0.182996D+00  0.413261D+00
               131           132           133           134           135 
      1   0.777255D+00  0.413261D+00 -0.191824D-01  0.511429D+00  0.996746D-01
      2  -0.773025D+01 -0.332327D+01  0.511429D+00 -0.283655D+01 -0.218744D+01
      3  -0.332327D+01 -0.217197D+01  0.996746D-01 -0.218744D+01 -0.229157D+01
               136           137           138           139           140 
      1  -0.652503D+00 -0.241438D+01 -0.448726D+01 -0.325312D+01  0.965038D+00
      2  -0.241438D+01  0.488763D+00  0.241456D+00  0.965038D+00  0.664655D+01
      3  -0.448726D+01  0.241456D+00  0.126497D+01  0.342956D+00 -0.268821D+01
               141           142           143           144           145 
      1   0.342956D+00 -0.477691D+01  0.100858D+00  0.152170D+01  0.191282D+01
      2  -0.268821D+01  0.100858D+00 -0.151944D+01 -0.183050D+01 -0.281507D+01
      3  -0.195625D+01  0.152170D+01 -0.183050D+01  0.189163D+01 -0.392691D+01
               146           147           148           149           150 
      1  -0.281507D+01 -0.392691D+01 -0.445431D+01  0.164596D+01 -0.272956D+00
      2   0.127499D+00 -0.258210D+00  0.164596D+01  0.740934D+01 -0.101556D+01
      3  -0.258210D+00  0.145546D+01 -0.272956D+00 -0.101556D+01 -0.194696D+01
               151           152           153           154           155 
      1  -0.510206D+01 -0.190812D+00  0.224758D+01 -0.684320D+01  0.442034D+01
      2  -0.190812D+00 -0.130514D+01 -0.156014D+01  0.442034D+01 -0.414071D+01
      3   0.224758D+01 -0.156014D+01  0.467000D+01  0.705874D-01  0.291925D+00
               156           157           158           159           160 
      1   0.705874D-01  0.328013D+01 -0.352435D+01  0.395251D+00  0.286093D+00
      2   0.291925D+00 -0.352435D+01  0.436561D+01  0.838892D-01  0.294810D+00
      3  -0.669124D+00  0.395251D+00  0.838892D-01  0.428406D+00 -0.927643D+00
               161           162           163           164           165 
      1   0.294810D+00 -0.927643D+00 -0.410995D+01 -0.343059D+00 -0.330225D+01
      2   0.261350D+00  0.925068D+00 -0.343059D+00 -0.586776D+00 -0.171714D+00
      3   0.925068D+00 -0.239406D+00 -0.330225D+01 -0.171714D+00 -0.418449D+01
               166           167           168           169           170 
      1  -0.839210D+00 -0.664050D+00 -0.679232D+00 -0.269578D+01 -0.280965D+00
      2  -0.664050D+00 -0.453738D+00 -0.738619D+00 -0.280965D+00 -0.538177D+00
      3  -0.679232D+00 -0.738619D+00 -0.694050D+00 -0.338194D+01 -0.700708D-01
               171           172           173           174           175 
      1  -0.338194D+01  0.317365D+01  0.160798D+01 -0.270990D+01  0.121063D+01
      2  -0.700708D-01  0.160798D+01  0.191292D+01 -0.211074D+01  0.146381D+01
      3  -0.635747D+01 -0.270990D+01 -0.211074D+01  0.340904D+01 -0.162620D+01
               176           177           178           179           180 
      1   0.146381D+01 -0.162620D+01 -0.137735D+01 -0.954456D+00  0.155797D+01
      2   0.238785D+01 -0.198052D+01 -0.954456D+00 -0.111116D+01  0.179331D+01
      3  -0.198052D+01  0.257459D+01  0.155797D+01  0.179331D+01 -0.411537D+01
               181           182           183           184           185 
      1   0.465184D+01  0.103680D+01  0.151850D+01  0.158418D+01  0.598423D+00
      2   0.103680D+01  0.932670D+00 -0.271207D+00  0.598423D+00 -0.129132D+00
      3   0.151850D+01 -0.271207D+00  0.308455D+01 -0.317978D-01  0.594302D+00
               186           187           188           189           190 
      1  -0.317978D-01  0.174432D+01  0.928288D-01  0.161488D+01 -0.398765D+00
      2   0.594302D+00  0.928288D-01  0.571355D+00  0.550007D+00 -0.848894D+00
      3   0.133267D+01  0.161488D+01  0.550007D+00  0.217400D+01  0.942018D+00
               191           192           193           194           195 
      1  -0.848894D+00  0.942018D+00 -0.106257D+01 -0.109063D+01  0.407749D+00
      2  -0.402675D+00  0.129799D+00 -0.109063D+01 -0.840695D+01  0.333917D+01
      3   0.129799D+00 -0.490741D+00  0.407749D+00  0.333917D+01 -0.267974D+01
               196           197           198           199           200 
      1   0.384545D+00  0.831683D-01 -0.346661D+00 -0.472591D+01  0.842392D+00
      2   0.831683D-01  0.108279D+01 -0.122899D+01  0.842392D+00 -0.107986D+01
      3  -0.346661D+00 -0.122899D+01  0.990300D+00  0.368556D+01 -0.332532D+00
               201           202           203           204           205 
      1   0.368556D+01  0.195158D+01 -0.105071D+01 -0.125845D+01  0.246835D+01
      2  -0.332532D+00 -0.105071D+01  0.236533D+00  0.120671D+01 -0.445097D+00
      3  -0.404895D+01 -0.125845D+01  0.120671D+01  0.206683D+01 -0.272948D+01
               206           207           208           209           210 
      1  -0.445097D+00 -0.272948D+01 -0.114005D+01  0.519473D+00 -0.118272D+01
      2   0.742256D+00  0.707182D+00  0.519473D+00 -0.338018D-01 -0.238274D-01
      3   0.707182D+00  0.395633D+01 -0.118272D+01 -0.238274D-01 -0.151063D+01
               211           212           213           214           215 
      1   0.118661D+01 -0.315421D+00  0.136231D+00 -0.237608D+01 -0.494919D+00
      2  -0.315421D+00 -0.322153D+00 -0.771234D+00 -0.494919D+00 -0.109190D+01
      3   0.136231D+00 -0.771234D+00  0.799168D+00 -0.249720D+01  0.284003D+00
               216           217           218           219           220 
      1  -0.249720D+01 -0.859753D+01  0.674768D+00  0.221957D+01  0.355610D+01
      2   0.284003D+00  0.674768D+00 -0.959324D+00 -0.257991D+00 -0.133828D+01
      3  -0.677502D+01  0.221957D+01 -0.257991D+00 -0.148042D+01 -0.594727D+00
               221           222           223           224           225 
      1  -0.133828D+01 -0.594727D+00  0.462579D+01 -0.110541D-01 -0.210646D+01
      2   0.988831D-01  0.563707D+00 -0.110541D-01  0.918250D+00  0.409702D+00
      3   0.563707D+00  0.904003D+00 -0.210646D+01  0.409702D+00  0.135809D+01
               226           227           228           229           230 
      1  -0.860134D+00 -0.836846D+00  0.384384D+00 -0.230939D+01 -0.308791D+01
      2  -0.836846D+00 -0.276380D+00  0.417786D-01 -0.308791D+01 -0.944119D+01
      3   0.384384D+00  0.417786D-01 -0.373311D-01 -0.104275D+00  0.249225D+00
               231           232           233           234 
      1  -0.104275D+00  0.930002D+00  0.324987D+00 -0.639689D+00
      2   0.249225D+00  0.324987D+00  0.795244D+00 -0.929663D+00
      3  -0.992744D+00 -0.639689D+00 -0.929663D+00 -0.129152D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.134704D+01  0.109224D+01  0.329808D+00  0.243003D+01  0.940549D+01
      2   0.236680D+01 -0.196922D+01 -0.262533D+01  0.579669D+00  0.966331D+01
      3  -0.328082D+01 -0.440459D+01  0.161098D+01  0.226017D+01 -0.446944D+02
                 6             7             8             9            10 
      1  -0.129982D+01  0.134926D+01  0.501577D+01  0.488093D+00 -0.772567D+00
      2   0.105397D+02 -0.929904D+01  0.144556D+02  0.158487D+02 -0.870943D+00
      3  -0.126209D+02  0.189426D+01 -0.966959D+01 -0.142977D+02  0.406666D+01
                11            12            13            14            15 
      1  -0.717343D+01 -0.398033D+01 -0.369565D+01 -0.174453D+02  0.498306D+00
      2   0.282927D+01  0.278688D+01  0.410351D+00 -0.487114D+01 -0.203378D+01
      3  -0.584219D+01 -0.343888D+01  0.378159D+01  0.976937D+01  0.613485D+01
                16            17            18            19            20 
      1  -0.599313D+01  0.178555D+02  0.141271D+02 -0.150306D+01 -0.194734D+01
      2  -0.728968D+00 -0.259630D+01 -0.544731D+01 -0.165707D+01  0.599686D+01
      3  -0.163552D+01  0.100130D+02  0.112715D+02  0.110098D+02 -0.740750D+01
                21            22            23            24            25 
      1  -0.253060D+00 -0.204088D+01 -0.119593D+02 -0.305127D+01 -0.263327D+01
      2   0.184129D+01  0.417195D+01 -0.110208D+02 -0.117628D+02 -0.563552D+01
      3  -0.448719D+01  0.259599D+01  0.438574D+02  0.139452D+02 -0.319058D+01
                26            27            28            29            30 
      1   0.504057D+01  0.247620D+01 -0.127872D+01 -0.598027D+01 -0.479795D+01
      2  -0.112176D+02 -0.168857D+02 -0.528508D+01 -0.919413D+01 -0.597468D+01
      3   0.136258D+02  0.116143D+02  0.109053D+02 -0.165082D+01  0.103831D+02
                31            32            33            34            35 
      1  -0.303449D+01 -0.666783D+01  0.218386D+01 -0.111049D+02  0.145261D+02
      2  -0.870607D+01 -0.262060D+01  0.407267D+01 -0.170410D+02  0.141230D+02
      3   0.148589D+02 -0.309240D+02  0.551444D+01  0.106543D+02  0.104165D+02
                36            37            38            39            40 
      1   0.985488D+01 -0.730717D+00  0.584880D+00  0.503381D+01 -0.440829D+01
      2   0.149408D+02  0.925491D+01  0.317785D+01  0.331246D+01 -0.320109D+01
      3  -0.433486D+01 -0.147358D+02 -0.823468D+01 -0.122204D+01  0.786120D+01
                41            42            43            44            45 
      1   0.110429D+01 -0.114474D+02  0.788726D+01  0.298124D+00  0.503392D+01
      2   0.243348D+01 -0.508950D+01 -0.990449D+01 -0.426166D+01  0.485344D+01
      3   0.209576D+01  0.319014D+01  0.528722D+01 -0.118450D+00 -0.674481D+01
                46            47            48            49            50 
      1   0.430670D+01 -0.416378D+00 -0.227309D+01 -0.892167D+00 -0.147780D+01
      2  -0.139050D+02 -0.315761D+01  0.677838D+01  0.108078D+01 -0.158380D+01
      3   0.128647D+02 -0.523055D+01 -0.168732D+01 -0.294871D+01 -0.160688D+02
                51            52            53            54            55 
      1  -0.200183D+01 -0.260230D+01  0.736329D+01 -0.296658D+01  0.282613D+01
      2  -0.802396D+00 -0.101950D+00 -0.335385D+01  0.667454D+01  0.282863D+01
      3   0.243583D+01 -0.796516D+01  0.232127D+01  0.517941D+01 -0.408154D+01
                56            57            58            59            60 
      1   0.236151D+01  0.647832D+01  0.293982D+01  0.410062D+01 -0.677351D+01
      2   0.178913D+01  0.445821D+01  0.159118D+01  0.269243D+01 -0.374691D+01
      3  -0.569999D+01 -0.362363D+01  0.390300D+01  0.123774D+02 -0.539612D+01
                61            62            63            64            65 
      1   0.455141D+01  0.439242D+00 -0.903605D+01 -0.270345D+01  0.288636D+01
      2  -0.232670D+01 -0.237371D+01 -0.505264D+01 -0.696365D+00 -0.414654D+01
      3  -0.518690D+01 -0.675849D+01 -0.120701D+01  0.275500D+01 -0.420606D+01
                66            67            68            69            70 
      1  -0.126831D+02  0.606884D+01 -0.190324D+01  0.747805D+01 -0.106989D+02
      2   0.103133D+02 -0.674778D+00 -0.433678D+01  0.144502D+02  0.321692D+01
      3   0.678983D+01 -0.192302D+01 -0.202647D+01 -0.166863D+01  0.511463D+01
                71            72            73            74            75 
      1   0.779499D+01  0.222930D+01 -0.205311D+01  0.304801D+00 -0.287546D+01
      2   0.901622D+01  0.437973D+01 -0.518282D+00  0.117571D+01  0.556989D+01
      3   0.492657D+00  0.115356D+01  0.539044D+01 -0.186382D+01  0.144962D+01
                76            77            78            79            80 
      1  -0.307387D+00 -0.642481D+00 -0.105942D+01 -0.188787D+01  0.260280D+01
      2  -0.196461D+00  0.292633D+01  0.281276D+01  0.670583D+00 -0.142095D+01
      3   0.124780D+01 -0.235178D+01 -0.162374D+01  0.132833D+01 -0.418832D+01
                81            82            83            84            85 
      1  -0.123525D+01  0.177158D+01  0.269148D+01  0.379430D-01  0.484067D+00
      2   0.109181D+01 -0.813891D+00 -0.341446D+00  0.145530D+01 -0.127044D+01
      3   0.143960D+01  0.211473D+01  0.138138D+01 -0.710658D+00  0.704959D+01
                86            87            88            89            90 
      1   0.133517D+02 -0.611269D+01  0.639190D+00 -0.777745D+01  0.250919D+01
      2   0.157832D+01  0.729084D+00 -0.555348D+00  0.753045D+00  0.339607D+00
      3  -0.573530D+01 -0.490800D+00 -0.272031D+01 -0.234595D+00 -0.198594D+01
                91            92            93            94            95 
      1  -0.317851D+01  0.183253D+01  0.411908D+01  0.350028D+00 -0.520575D+00
      2   0.228533D+01 -0.125670D+01 -0.106713D+01 -0.795915D+00  0.243968D+01
      3  -0.463881D+01  0.673420D+00  0.427192D+01  0.223265D+01 -0.433714D+01
                96            97            98            99           100 
      1  -0.277296D+01  0.341994D+01 -0.460570D+01 -0.175763D+02  0.386905D+01
      2   0.817991D+00 -0.542495D+01  0.285200D+01  0.435869D+01  0.776744D+01
      3  -0.278234D+01  0.793728D+01 -0.665406D+01 -0.749853D+01 -0.129478D+02
               101           102           103           104           105 
      1   0.883202D+00  0.256140D+01  0.832105D+00  0.122250D+01 -0.152048D+00
      2   0.288095D+00  0.774536D+01  0.200156D+01  0.149210D+01  0.207557D+01
      3  -0.518771D+01 -0.396684D+01 -0.354458D+01 -0.275001D+01 -0.242860D+01
               106           107           108           109           110 
      1   0.289578D+01  0.683617D+00  0.127197D+01 -0.263532D+01  0.179377D+01
      2   0.512816D+01  0.195529D-01  0.450509D+01 -0.330444D+01  0.256667D+01
      3  -0.529234D+01 -0.353759D+01 -0.222058D+01 -0.683511D+00 -0.193594D+01
               111           112           113           114           115 
      1   0.332700D+01  0.186820D+01 -0.100069D+01 -0.350598D+01  0.639806D+01
      2   0.541984D+01  0.280758D+01 -0.415570D+01 -0.475369D+01  0.699357D+01
      3  -0.127819D+01 -0.272617D+01  0.773782D+01  0.302401D+01 -0.222426D+01
               116           117           118           119           120 
      1  -0.459845D+01 -0.126057D+02  0.543651D+00  0.212513D+01 -0.431155D+00
      2  -0.935431D+01 -0.210386D+02  0.136608D+01  0.222430D+01  0.455438D+00
      3   0.559000D+01  0.538294D+01  0.225195D+01  0.575731D+01 -0.249439D+01
               121           122           123           124           125 
      1  -0.819742D+00  0.636554D+01 -0.535073D+01  0.161943D+01 -0.467701D+01
      2   0.126268D+01  0.493636D+01 -0.425405D+01  0.716230D+00 -0.584731D+01
      3  -0.537153D+00  0.297794D+02 -0.605881D+01 -0.200202D+01 -0.102431D+02
               126           127           128           129           130 
      1   0.184319D+01  0.123497D+01 -0.342315D+00 -0.149183D+00 -0.547453D+00
      2   0.200058D+01  0.973782D+00 -0.998040D+00  0.963291D+00 -0.290399D+01
      3   0.568587D+01 -0.591900D+00 -0.122538D+00 -0.185427D+00  0.574365D+01
               131           132           133           134           135 
      1   0.573745D+01 -0.230352D+01 -0.212513D+00  0.309216D+01 -0.900120D+00
      2   0.824366D+00  0.198997D+00 -0.228785D+01  0.330613D-01 -0.612255D+00
      3   0.397056D+00 -0.897878D-01  0.850716D+00  0.413461D+00  0.150051D+00
               136           137           138           139           140 
      1  -0.117137D+02  0.482663D+00  0.224678D+01  0.314910D+01  0.134689D+02
      2   0.116811D+02  0.507616D+01  0.113265D+02  0.651716D+01  0.139795D+01
      3  -0.353055D+01  0.370634D+00  0.509477D+01  0.668670D+01  0.908108D+01
               141           142           143           144           145 
      1  -0.123434D+02  0.955379D+00 -0.399964D+01 -0.294795D+01 -0.300861D+01
      2   0.145469D+01  0.669610D+01  0.319280D+01 -0.441566D+01  0.127863D+02
      3  -0.431253D+01  0.427837D+01 -0.263807D+01 -0.375892D+01 -0.142022D+02
               146           147           148           149           150 
      1   0.729373D-01  0.266222D+01 -0.702946D+00 -0.372034D+01 -0.389586D+01
      2  -0.978240D+00 -0.558379D+01 -0.297867D+01  0.275859D+01  0.560666D+01
      3   0.298657D+01  0.400043D+01  0.133109D+02  0.226543D+02 -0.247611D+01
               151           152           153           154           155 
      1   0.459347D+01  0.709422D+00  0.809466D+01 -0.125326D+01  0.626875D+00
      2  -0.151327D+02  0.387260D+01 -0.168731D+02 -0.126792D+01  0.826648D+00
      3   0.536183D+01 -0.301675D+01 -0.791459D+01 -0.734115D+01 -0.154048D+01
               156           157           158           159           160 
      1   0.271803D+01  0.419876D+00 -0.160125D+01 -0.315363D+01  0.138160D+01
      2   0.348278D+01  0.305342D+00 -0.106281D+01 -0.212530D+01  0.437751D-03
      3   0.249747D+00  0.405760D+01  0.841422D+00  0.672129D+00  0.593785D+00
               161           162           163           164           165 
      1  -0.397029D+00  0.398199D+00  0.377714D+01  0.405861D+01  0.415561D+01
      2  -0.849288D+00  0.126865D+00 -0.107554D+02 -0.171689D+01 -0.372554D+01
      3   0.124808D+01 -0.331132D+00 -0.336620D+01 -0.289384D+01 -0.232686D+01
               166           167           168           169           170 
      1   0.205436D+01  0.200781D+01  0.379683D+00  0.369200D+01  0.326602D+01
      2  -0.259379D+01 -0.103853D+01 -0.158901D+01 -0.730321D+01 -0.138802D+01
      3   0.485241D+00 -0.162181D+00 -0.499123D+00 -0.153983D+01 -0.176742D+01
               171           172           173           174           175 
      1   0.376691D+01 -0.161532D+01 -0.445483D+01  0.502205D+00 -0.256315D+01
      2  -0.308434D+01  0.944919D+01  0.364360D+01 -0.420994D+01  0.420142D+01
      3  -0.162630D+01  0.448075D+01  0.519996D+00 -0.247896D+01  0.401851D+01
               176           177           178           179           180 
      1  -0.367989D+01 -0.764107D-01  0.101289D+01  0.267294D+01 -0.525129D+00
      2   0.360523D+01 -0.398712D+01 -0.523660D+01 -0.316835D+01  0.386644D+01
      3   0.896808D+00 -0.196778D+01 -0.254096D+01 -0.270808D+00  0.218729D+01
               181           182           183           184           185 
      1   0.631014D+01  0.393724D+01  0.103869D+01  0.321614D+01  0.146298D+01
      2  -0.185390D+02 -0.441998D+01 -0.328089D+01 -0.585336D+01 -0.238953D+01
      3  -0.272834D+01 -0.153065D+01 -0.119269D+01  0.961266D+00 -0.315892D+00
               186           187           188           189           190 
      1   0.975527D+00  0.224964D+01  0.274880D+01  0.238191D+01 -0.402840D+00
      2  -0.478207D+00 -0.718049D+01 -0.103577D+01 -0.471919D+01 -0.805042D+00
      3   0.125938D+00 -0.723363D+00 -0.640784D+00 -0.587284D+00 -0.762908D+00
               191           192           193           194           195 
      1  -0.763641D+00 -0.616331D+00 -0.182239D+01 -0.160110D+02  0.947322D+00
      2   0.116238D+01 -0.311209D+00  0.280254D+01 -0.225175D+01  0.287920D+01
      3  -0.588645D+00 -0.582207D+00  0.294274D+01 -0.997659D+01  0.399346D+01
               196           197           198           199           200 
      1  -0.240196D-01  0.307968D+01 -0.166805D+01  0.561162D+01 -0.447413D+01
      2  -0.149735D+01  0.811577D+00 -0.505373D+00  0.599180D+01 -0.188075D+01
      3  -0.472799D+00  0.127451D+01 -0.112733D+01  0.451374D+01 -0.423865D+01
               201           202           203           204           205 
      1  -0.427466D+01 -0.300075D+01  0.238111D+01  0.314293D+01 -0.356839D+01
      2   0.236916D+00 -0.302696D+01  0.121514D-01 -0.127770D+01 -0.475807D+01
      3  -0.366356D+01 -0.163179D+01  0.188010D+01  0.252048D+01 -0.254568D+01
               206           207           208           209           210 
      1   0.375053D+01  0.500844D+01 -0.191855D+01  0.105343D+00 -0.129924D+01
      2   0.140726D+00 -0.340491D-01  0.272867D+01  0.842558D+00  0.415707D+01
      3   0.220524D+01  0.339981D+01  0.238107D+01 -0.112671D+01  0.105506D+01
               211           212           213           214           215 
      1  -0.919408D-01 -0.911890D+00  0.107552D+01 -0.153723D+01  0.408467D+01
      2   0.152589D+01  0.237666D+01 -0.341787D+01  0.195279D+01 -0.264373D+01
      3  -0.702882D+00 -0.692003D-01 -0.226021D+01  0.766017D+00 -0.384057D+01
               216           217           218           219           220 
      1  -0.868093D+01  0.239991D+01 -0.621097D+00 -0.145965D+01 -0.535389D+00
      2   0.207454D+02 -0.958544D+01  0.125804D+01  0.866251D+01  0.305460D+01
      3   0.411795D+01  0.122504D+02 -0.632645D+01 -0.351245D+01 -0.595061D+01
               221           222           223           224           225 
      1   0.826584D+00 -0.247698D+00 -0.216602D+01  0.112892D+01  0.754971D+00
      2  -0.218119D+01 -0.390832D+01  0.657878D+01 -0.128956D+01 -0.556026D+01
      3   0.258241D+01  0.232176D+01 -0.509282D+01  0.417547D+01  0.377508D+01
               226           227           228           229           230 
      1   0.769746D+00  0.333871D+00 -0.117698D+00  0.429460D+00  0.369545D+01
      2  -0.125561D+01 -0.386491D+00  0.130141D+01 -0.111175D+00 -0.162434D+01
      3  -0.180617D+01 -0.151018D+01 -0.464737D+00 -0.261112D+01 -0.248254D+02
               231           232           233           234 
      1  -0.462143D+01 -0.503645D+00 -0.245206D+00  0.313706D+00
      2   0.358915D+01  0.103910D+01  0.181714D+01  0.276764D+00
      3   0.101729D+01 -0.934156D+00  0.180260D+01 -0.172249D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.167106D+02  0.432911D+01 -0.249432D+01  0.585558D+01 -0.288017D+02
      2   0.115166D+02 -0.188488D+01  0.256562D+01  0.167956D+01  0.338505D+02
      3   0.519397D+01 -0.244423D+01 -0.713007D-01 -0.753514D+01 -0.504879D+01
      4  -0.757807D+01  0.669240D+00 -0.120314D+02 -0.519366D+01  0.513214D+02
      5  -0.176093D+02 -0.780103D+01 -0.586846D+01 -0.115122D+02  0.503316D+01
      6  -0.535532D+01 -0.830142D+01 -0.596918D+01 -0.458641D+01  0.718881D+01
                 6             7             8             9            10 
      1  -0.127529D+02 -0.471355D+01 -0.149533D+02 -0.188027D+02  0.309385D+01
      2   0.996325D+01  0.291490D+01  0.197124D+01  0.299163D+01  0.133233D+01
      3   0.278962D+01  0.179865D+01  0.129821D+02  0.158111D+02 -0.442618D+01
      4   0.470108D+01 -0.209820D+02  0.161909D+01  0.115606D+02 -0.192098D+01
      5   0.463592D+01 -0.531632D+01  0.746065D+01  0.922450D+01  0.258455D+01
      6   0.718064D+01 -0.340752D+01  0.115177D+02  0.580785D+01  0.129146D+01
                11            12            13            14            15 
      1  -0.532072D+01 -0.106077D+02  0.125691D+01  0.424462D+02  0.299742D+01
      2  -0.370220D+01  0.102289D+02 -0.595127D+01 -0.629043D+02  0.681943D+01
      3   0.902293D+01  0.378858D+00  0.469435D+01  0.204581D+02 -0.981684D+01
      4   0.350072D+01  0.422486D+01  0.830418D+01 -0.198244D+02  0.449874D+01
      5   0.131050D+01 -0.167384D+01  0.322295D+01  0.208973D+00  0.251298D+01
      6   0.160828D+02  0.133707D+02  0.700701D+01  0.529898D+01 -0.633015D+01
                16            17            18            19            20 
      1  -0.105174D+02 -0.733170D+00  0.214445D+02  0.170994D+02 -0.104784D+01
      2   0.614241D+01  0.232675D+02 -0.767110D+01 -0.136747D+02 -0.242873D+01
      3   0.437500D+01 -0.225343D+02 -0.137734D+02 -0.342469D+01  0.347658D+01
      4   0.421097D+01  0.856671D+01  0.406616D+01 -0.511015D+01  0.709194D+01
      5   0.500077D-01  0.565440D+01  0.636330D+01  0.159493D+01  0.825348D+01
      6   0.129331D+02 -0.210051D+02 -0.272835D+02 -0.280607D+01 -0.587929D+01
                21            22            23            24            25 
      1   0.430954D+01  0.128636D+01  0.123968D+02  0.114614D+02 -0.209801D+01
      2  -0.353110D+01 -0.273991D+01 -0.788905D+01 -0.246351D+01 -0.124926D+01
      3  -0.778439D+00  0.145355D+01 -0.450775D+01 -0.899786D+01  0.334727D+01
      4   0.581976D+01  0.307054D+01 -0.540249D+02 -0.157173D+02 -0.363310D-01
      5   0.604968D+01  0.518089D+01 -0.110622D+02 -0.101384D+02  0.134058D+02
      6  -0.747893D+00 -0.187940D+01 -0.795599D+01 -0.911834D+00 -0.109732D+01
                26            27            28            29            30 
      1   0.108283D+02  0.113218D+02 -0.356710D+02 -0.120989D+01 -0.158615D+02
      2  -0.101014D+02 -0.128115D+02  0.268419D+02 -0.657757D+01  0.996211D+01
      3  -0.726917D+00  0.148974D+01  0.882909D+01  0.778746D+01  0.589937D+01
      4  -0.160153D+02 -0.135527D+02 -0.184826D+01  0.139845D+01 -0.107603D+02
      5  -0.107990D+02 -0.137555D+02 -0.112870D+02 -0.148677D+02 -0.167695D+02
      6   0.397633D+01 -0.534157D+01  0.168021D+01  0.850037D+01  0.702955D+01
                31            32            33            34            35 
      1  -0.148805D+02  0.117620D+02 -0.173303D+02 -0.181658D+02 -0.217129D+02
      2   0.671419D+01 -0.258725D+02  0.167264D+02  0.651282D+01  0.261644D+02
      3   0.816628D+01  0.141105D+02  0.603927D+00  0.116530D+02 -0.445147D+01
      4  -0.508237D+01  0.402815D+02  0.219302D+01 -0.134237D+02  0.118133D+01
      5  -0.144729D+02 -0.415041D+01  0.105444D+02 -0.283188D+02  0.257855D+02
      6   0.245040D+01  0.125985D+02 -0.817011D+01  0.134076D+02 -0.182169D+02
                36            37            38            39            40 
      1  -0.144180D+02 -0.130997D+02 -0.400042D+01  0.128311D+01 -0.127849D+02
      2   0.107419D+02  0.979411D+01  0.337758D+01 -0.240184D+01  0.728450D+00
      3   0.367605D+01  0.330561D+01  0.622842D+00  0.111872D+01  0.120564D+02
      4   0.226351D+02  0.477706D+01  0.170057D+01  0.468653D+01  0.176412D+01
      5   0.314946D+02  0.439900D+01 -0.150933D+00 -0.791245D+00 -0.114129D+01
      6  -0.175084D+02  0.705149D+01  0.322403D+00  0.320976D+01  0.790802D-02
                41            42            43            44            45 
      1   0.204436D+02  0.371856D+01  0.951647D+01  0.112246D+02  0.882285D+00
      2  -0.117670D+02 -0.974539D+01 -0.285939D+01 -0.132371D+02  0.447834D+01
      3  -0.867670D+01  0.602683D+01 -0.665709D+01  0.201257D+01 -0.536062D+01
      4  -0.731337D+01 -0.138758D+01  0.893374D+01 -0.272085D+00  0.138476D+01
      5   0.136959D+01  0.514844D+01 -0.537137D+01  0.111622D+01 -0.549189D+00
      6  -0.130860D+02 -0.178261D+02 -0.757228D+00 -0.103999D+02  0.356929D+01
                46            47            48            49            50 
      1   0.133212D+01 -0.812903D+01 -0.137034D+02 -0.978837D+01 -0.402124D+01
      2  -0.764752D+01  0.192358D+01  0.107177D+02  0.807907D+01  0.321208D+01
      3   0.631540D+01  0.620546D+01  0.298571D+01  0.170929D+01  0.809160D+00
      4  -0.139298D+02  0.319042D+01 -0.919370D+01  0.498642D+01  0.184720D+02
      5  -0.168926D+02 -0.481831D+01  0.741926D+01  0.102490D+01 -0.600456D+01
      6  -0.100054D+02  0.652735D-01  0.182507D+01 -0.797700D+00 -0.418082D+01
                51            52            53            54            55 
      1  -0.516824D+01 -0.194553D+02 -0.806161D+01  0.959758D+01 -0.913649D+01
      2  -0.196366D+01  0.107348D+02  0.382721D+01 -0.526080D+01 -0.523132D+01
      3   0.713190D+01  0.872048D+01  0.423440D+01 -0.433679D+01  0.143678D+02
      4  -0.792479D+01 -0.840829D+01 -0.850000D+01  0.237035D+01  0.218421D+02
      5  -0.430577D+01  0.103556D+02 -0.623291D+00  0.433074D+01  0.933439D-01
      6   0.753503D+01  0.570670D+01 -0.262770D+00  0.241091D+01  0.201937D+01
                56            57            58            59            60 
      1   0.754936D+01  0.346339D+01  0.328703D+01 -0.127498D+02  0.285561D+01
      2   0.546160D+01 -0.103042D+02  0.432147D+01  0.933456D+01 -0.795964D+00
      3  -0.130110D+02  0.684078D+01 -0.760850D+01  0.341526D+01 -0.205964D+01
      4  -0.236590D+02  0.207084D+01 -0.216742D+02  0.632867D+01  0.318013D+01
      5   0.231190D+01  0.948276D+00 -0.156965D+01  0.244121D+01  0.352011D+00
      6  -0.100262D+02 -0.606016D+01 -0.602567D+01  0.364963D+01 -0.411040D+00
                61            62            63            64            65 
      1   0.739723D+00  0.602811D+01  0.139267D+01  0.757079D+01  0.795227D+01
      2  -0.534874D+01 -0.761499D+01  0.817280D+01  0.696576D+01  0.167126D+01
      3   0.460902D+01  0.158688D+01 -0.956547D+01 -0.145365D+02 -0.962353D+01
      4   0.470818D+01  0.494409D+01 -0.780210D+01 -0.458223D+01 -0.246778D+00
      5   0.307847D+01 -0.228549D+01 -0.145660D+01 -0.387269D+01  0.355243D+01
      6  -0.548781D+01  0.573970D+01  0.724967D+01  0.687329D+01  0.142412D+02
                66            67            68            69            70 
      1  -0.288839D+01  0.127402D+02 -0.291815D+01 -0.132247D+01  0.113508D+01
      2   0.150421D+02  0.417736D+01 -0.245860D+01 -0.191965D+01  0.111817D+02
      3  -0.121537D+02 -0.169176D+02  0.537676D+01  0.324212D+01 -0.123168D+02
      4   0.275067D+01  0.245138D+01 -0.287587D+01  0.878470D+01 -0.266053D+01
      5  -0.183600D+02  0.168085D+01  0.572033D+01 -0.139171D+02 -0.138175D+02
      6  -0.103909D+02  0.130904D+02 -0.524688D+01  0.557166D+01 -0.490857D+01
                71            72            73            74            75 
      1  -0.659197D+01 -0.442920D+01  0.352960D+02  0.996163D+01  0.109378D+02
      2   0.456417D+01 -0.115565D+01 -0.196255D+02 -0.460189D+01 -0.919407D+01
      3   0.202780D+01  0.558485D+01 -0.156705D+02 -0.535974D+01 -0.174372D+01
      4   0.499659D+01 -0.434368D+00  0.277601D+02  0.149804D+02  0.121411D+02
      5  -0.629002D+01 -0.525889D+01  0.240241D+02  0.949638D+01  0.167399D+02
      6  -0.122818D+00  0.116621D+01  0.815605D+01  0.520661D+01  0.589529D+01
                76            77            78            79            80 
      1   0.494337D+01  0.630168D+00 -0.507454D+00  0.115991D+02  0.323821D+01
      2  -0.735324D+00  0.241967D+01  0.535043D+00 -0.846305D+01  0.623521D+00
      3  -0.420805D+01 -0.304984D+01 -0.275893D-01 -0.313605D+01 -0.386174D+01
      4   0.135648D+02  0.125905D+02  0.891988D+01  0.138417D+02  0.128684D+02
      5   0.623240D+01  0.800590D+01  0.653913D+01  0.158092D+02  0.564938D+01
      6   0.506425D+01  0.663357D+01  0.570748D+01  0.622094D+01  0.508173D+01
                81            82            83            84            85 
      1   0.588158D+01 -0.161564D+01 -0.488183D+01  0.431386D+00 -0.204608D+01
      2  -0.584911D+01  0.727688D+01  0.124924D+02 -0.711143D+00  0.739105D+01
      3  -0.324642D-01 -0.566125D+01 -0.761061D+01  0.279757D+00 -0.534497D+01
      4   0.838493D+01  0.594793D+01  0.143721D+02 -0.158457D+01  0.786416D+01
      5   0.110803D+02 -0.309726D+00  0.399264D+00  0.216523D+01 -0.197811D+00
      6   0.521865D+01 -0.162642D+01 -0.133420D+01 -0.221266D+00 -0.521820D+00
                86            87            88            89            90 
      1  -0.472241D+02  0.244190D+01  0.148724D+01  0.123683D+02 -0.784810D+01
      2   0.845910D+02 -0.655374D+01 -0.218851D+01 -0.246346D+02  0.877319D+01
      3  -0.373669D+02  0.411184D+01  0.701267D+00  0.122663D+02 -0.925082D+00
      4   0.209026D+02 -0.211355D+01 -0.306601D+01 -0.616973D+01  0.230807D+01
      5   0.138455D+00  0.627461D+00  0.158067D+01  0.936830D+00 -0.150611D+01
      6  -0.590998D+01  0.816232D+01 -0.532421D+00  0.149473D+02 -0.218970D+01
                91            92            93            94            95 
      1  -0.249802D+01  0.373584D+01  0.552298D+01  0.181148D+01 -0.148922D+02
      2  -0.140974D+01 -0.195900D+01 -0.231455D+01 -0.171995D+01  0.159994D+02
      3   0.390776D+01 -0.177685D+01 -0.320844D+01 -0.915229D-01 -0.110720D+01
      4  -0.334864D+01  0.513000D+01  0.501307D+01  0.129094D+01  0.116684D+01
      5  -0.317562D+01  0.354388D+01  0.691766D+01  0.753617D+00 -0.958154D+00
      6   0.628128D+01 -0.702304D+01 -0.854607D+01 -0.355435D+01  0.115462D+02
                96            97            98            99           100 
      1  -0.866824D+01  0.746251D+01 -0.181463D+02 -0.278151D+02  0.692951D+02
      2   0.643125D+01 -0.155093D+01  0.718473D+01  0.195720D+01 -0.384595D+02
      3   0.223699D+01 -0.591158D+01  0.109615D+02  0.258579D+02 -0.308356D+02
      4  -0.128755D+01  0.345899D+01 -0.187915D+01 -0.212842D+01 -0.102440D+02
      5  -0.108553D+01  0.559956D+01 -0.305387D+01 -0.436031D+01  0.171308D+02
      6   0.133318D+02 -0.816401D+01  0.271785D+02  0.393943D+02 -0.532008D+01
               101           102           103           104           105 
      1   0.196000D+01  0.159502D+02  0.203810D+02  0.416602D+01  0.492566D+01
      2  -0.271439D+01 -0.967177D+01 -0.121290D+02 -0.130366D+01 -0.433716D+01
      3   0.754390D+00 -0.627845D+01 -0.825208D+01 -0.286237D+01 -0.588499D+00
      4   0.788577D+01 -0.205162D+01  0.510058D+01  0.311072D+01  0.280347D+01
      5   0.347706D+00  0.140667D+02  0.493408D+01  0.338653D+01  0.373867D+01
      6  -0.706067D-01 -0.461531D+01 -0.449139D+00 -0.100767D+01  0.773635D+00
               106           107           108           109           110 
      1   0.257871D+02  0.936576D+00  0.120581D+02  0.152097D+02 -0.560287D+01
      2  -0.159895D+02 -0.306941D+01 -0.980076D+01 -0.106502D+02  0.375544D+01
      3  -0.979760D+01  0.213283D+01 -0.225738D+01 -0.455946D+01  0.184743D+01
      4  -0.484837D+01  0.504537D+01 -0.298089D+01 -0.939977D+01  0.618573D+01
      5   0.181087D+02 -0.111926D+01  0.978016D+01 -0.127222D+02  0.803061D+01
      6  -0.448157D+01  0.247723D+01 -0.174110D+01  0.538571D+01 -0.380054D+01
               111           112           113           114           115 
      1  -0.812857D+01 -0.178816D+01 -0.277646D+00  0.162713D+01 -0.158826D+02
      2   0.564468D+01 -0.601332D+00  0.490481D+01  0.753247D-01  0.124850D+02
      3   0.248389D+01  0.238949D+01 -0.462716D+01 -0.170245D+01  0.339761D+01
      4   0.866815D+01  0.114173D+02 -0.176108D+02 -0.101961D+02  0.204919D+02
      5   0.154173D+02  0.685324D+01 -0.925478D+01 -0.993151D+01  0.276470D+02
      6  -0.555969D+01 -0.458663D+01  0.556359D+01  0.100877D+02 -0.123251D+02
               116           117           118           119           120 
      1   0.713693D+01  0.481920D+01 -0.874006D+00 -0.900965D+01  0.408420D+01
      2  -0.580041D+01 -0.142210D+02  0.157779D+01  0.109527D+02 -0.246508D+01
      3  -0.133652D+01  0.940178D+01 -0.703783D+00 -0.194304D+01 -0.161912D+01
      4  -0.202156D+02 -0.212532D+02 -0.164879D+00 -0.199028D+01 -0.269120D-02
      5  -0.232442D+02 -0.456515D+02  0.200531D+01  0.157380D+01  0.146717D+01
      6   0.168939D+02  0.247245D+02 -0.181712D+01 -0.310527D+01  0.119352D+01
               121           122           123           124           125 
      1  -0.739620D+01 -0.208962D+02  0.740371D+01  0.514356D+01  0.100044D+02
      2  -0.639784D-01  0.446208D+02 -0.980746D+01 -0.780792D+00 -0.156792D+02
      3   0.746018D+01 -0.237246D+02  0.240376D+01 -0.436277D+01  0.567482D+01
      4   0.150962D+02 -0.455230D+02  0.711834D+01 -0.361225D+01  0.135954D+02
      5   0.937954D-01  0.103808D+02 -0.837966D+01  0.678550D+01 -0.130266D+02
      6   0.235607D+01 -0.162539D+02  0.964704D+01 -0.369316D+01  0.151922D+02
               126           127           128           129           130 
      1  -0.338564D+01  0.259423D+00 -0.904698D+00 -0.221032D+00  0.627387D+00
      2   0.410681D+01  0.212681D+01  0.527094D+00  0.426570D+00 -0.151898D+01
      3  -0.721173D+00 -0.238623D+01  0.377605D+00 -0.205538D+00  0.891595D+00
      4  -0.102018D+02 -0.617012D+00  0.771491D+01  0.212394D+01  0.675828D+01
      5   0.184727D+01 -0.951851D+00  0.341464D+01  0.361520D+01  0.329070D+01
      6  -0.535855D+01  0.385251D+01 -0.206410D+00  0.890364D+00 -0.313146D+01
               131           132           133           134           135 
      1  -0.219377D+02 -0.104414D+02  0.386065D+00 -0.900840D+01 -0.102000D+02
      2   0.261871D+02  0.816541D+01  0.463874D+00  0.629323D+01  0.206148D+01
      3  -0.424943D+01  0.227602D+01 -0.849939D+00  0.271517D+01  0.813856D+01
      4  -0.143410D+01 -0.126758D+01  0.184813D+01 -0.124997D+01  0.334636D+00
      5  -0.208957D+01 -0.107541D+01  0.286373D+01 -0.795596D+00 -0.209073D+01
      6   0.251833D+02  0.162449D+02 -0.962459D+00  0.151109D+02  0.114736D+02
               136           137           138           139           140 
      1   0.582835D+01  0.613162D+01  0.113310D+02  0.910280D+01  0.130972D+02
      2   0.154160D+02 -0.501383D+01 -0.106690D+02 -0.100978D+02 -0.179196D+02
      3  -0.212443D+02 -0.111779D+01 -0.662002D+00  0.994990D+00  0.482238D+01
      4   0.926976D+01  0.279756D+01  0.251393D+01  0.461416D+00 -0.152373D+02
      5   0.129843D+02 -0.742979D+01 -0.203276D+02 -0.113871D+02  0.610393D+01
      6  -0.505713D+01  0.235628D+01  0.380012D+01  0.509170D+01  0.267639D+02
               141           142           143           144           145 
      1  -0.189359D+01  0.973978D+01  0.170835D+01 -0.143728D+02 -0.171564D+02
      2   0.160962D+02 -0.871615D+01  0.928838D+01  0.182790D+01  0.139671D+02
      3  -0.142026D+02 -0.102362D+01 -0.109967D+02  0.125449D+02  0.318925D+01
      4   0.699100D+01  0.398422D+01  0.469829D+01  0.136621D+01  0.204538D+02
      5   0.854503D+01 -0.201573D+02  0.443756D+01  0.362856D+01  0.244242D+02
      6  -0.918717D+01  0.113699D+01 -0.306653D+01 -0.113288D+02  0.704558D+01
               146           147           148           149           150 
      1   0.169447D+02  0.230068D+02  0.280821D+02  0.111734D+02 -0.295089D+01
      2  -0.101419D+02 -0.105881D+02 -0.208124D+02 -0.264935D+02  0.343394D+01
      3  -0.680288D+01 -0.124187D+02 -0.726974D+01  0.153201D+02 -0.483041D+00
      4   0.237390D+01  0.385159D+01 -0.469641D+01 -0.332523D+02  0.642070D+01
      5   0.142869D+01 -0.931253D+01 -0.123800D+01  0.559252D+01  0.958007D+01
      6   0.952434D+00 -0.183410D+01  0.321119D+00 -0.780627D+00  0.270024D+01
               151           152           153           154           155 
      1   0.288287D+02 -0.180189D+01 -0.128528D+02  0.216067D+02 -0.860905D+01
      2  -0.119491D+02  0.289195D+01  0.144919D+02  0.292312D+00 -0.776035D+01
      3  -0.168796D+02 -0.109006D+01 -0.163903D+01 -0.218990D+02  0.163694D+02
      4   0.309052D+01  0.691167D+01  0.545229D+01 -0.335454D+02  0.286918D+02
      5  -0.147140D+02  0.726652D+01 -0.238215D+02  0.285806D+01 -0.263065D+01
      6  -0.382156D+01  0.366492D+01 -0.763590D+01 -0.344595D+01  0.362236D+01
               156           157           158           159           160 
      1  -0.607461D+00 -0.372455D+01 -0.185161D+00  0.315164D-01 -0.612701D+00
      2   0.104045D+01 -0.941443D+01  0.169464D+02  0.811580D+00  0.554749D+00
      3  -0.432994D+00  0.131390D+02 -0.167612D+02 -0.843096D+00  0.579519D-01
      4  -0.105898D+01  0.235911D+02 -0.256050D+02  0.233588D+00 -0.341113D+00
      5   0.536331D+01 -0.185754D+01  0.136630D+01 -0.206022D+01  0.579547D+01
      6  -0.294300D+01  0.270138D+01 -0.321782D+01  0.480154D+01 -0.387584D+01
               161           162           163           164           165 
      1   0.407386D-01  0.130584D+00  0.240720D+01  0.133872D+01 -0.478077D+01
      2   0.152156D+01  0.577714D+00 -0.135389D+02 -0.187725D+01 -0.149006D+02
      3  -0.156230D+01 -0.708298D+00  0.111316D+02  0.538526D+00  0.196814D+02
      4  -0.428491D+00 -0.494334D+01 -0.137294D+01  0.365732D+01 -0.243453D+01
      5  -0.398271D+01  0.354091D+00  0.188642D+02  0.514920D+00  0.198927D+02
      6   0.614364D+01 -0.236916D+01 -0.368145D+01  0.264084D+01 -0.445365D+01
               166           167           168           169           170 
      1  -0.131453D+01 -0.669329D+00 -0.180626D+01 -0.300780D+01  0.676444D+00
      2  -0.231698D+01 -0.246072D+01 -0.321610D+01 -0.121890D+02 -0.132784D+01
      3   0.363151D+01  0.313005D+01  0.502236D+01  0.151968D+02  0.651393D+00
      4   0.294894D+01  0.432986D+00  0.157094D+01 -0.144155D+01  0.180337D+01
      5   0.156091D+01  0.344682D+01  0.300899D+01  0.169856D+02  0.166115D+01
      6   0.225637D+01  0.117059D+01  0.536936D+01 -0.197713D+01  0.485473D+01
               171           172           173           174           175 
      1  -0.133284D+02 -0.285204D+01 -0.609033D+01  0.872716D+01 -0.467432D+01
      2  -0.209010D+02 -0.336453D+01  0.103292D+01  0.344639D+01  0.550487D+00
      3   0.342294D+02  0.621657D+01  0.505742D+01 -0.121735D+02  0.412384D+01
      4  -0.179406D+01  0.623375D+01  0.543110D+01 -0.583681D+01  0.479439D+01
      5   0.217532D+02 -0.132252D+02 -0.677806D+01  0.140112D+02 -0.611150D+01
      6  -0.604030D+01 -0.952335D+01 -0.113859D+02  0.130257D+02 -0.869859D+01
               176           177           178           179           180 
      1  -0.886356D+01  0.928521D+01  0.428564D+01  0.690207D+01 -0.123024D+02
      2   0.651506D+01 -0.209383D+00  0.184127D+01  0.441120D+00 -0.665883D+01
      3   0.234850D+01 -0.907583D+01 -0.612691D+01 -0.734319D+01  0.189612D+02
      4   0.414482D+01 -0.397481D+01 -0.251877D+01 -0.291220D+01  0.326368D+01
      5  -0.595184D+01  0.664469D+01  0.946378D+01  0.466970D+01 -0.876049D+01
      6  -0.129603D+02  0.137837D+02  0.670983D+01  0.993011D+01 -0.147508D+02
               181           182           183           184           185 
      1  -0.446445D+01 -0.113000D+00 -0.115101D+02 -0.219775D+01 -0.321668D+01
      2  -0.486925D+01 -0.560868D+00 -0.542459D+01  0.885850D+00  0.181492D+01
      3   0.933369D+01  0.673869D+00  0.169347D+02  0.131190D+01  0.140176D+01
      4  -0.763526D+01 -0.762106D+00 -0.265921D+01 -0.782854D+00  0.231834D+00
      5   0.117697D+02  0.234661D+01  0.636246D+01  0.421517D+01  0.841693D+00
      6   0.196089D+01  0.438017D+01 -0.320857D+01  0.248660D+01 -0.339517D+00
               186           187           188           189           190 
      1  -0.322567D+01 -0.678525D+01 -0.150955D+01 -0.759795D+01 -0.101588D+01
      2  -0.390723D+01 -0.346588D+01 -0.184757D+01 -0.670615D+01  0.693558D+00
      3   0.713290D+01  0.102511D+02  0.335712D+01  0.143041D+02  0.322320D+00
      4  -0.810579D+00 -0.258319D+01  0.604097D-01 -0.263283D+01  0.241523D+01
      5  -0.123201D+01  0.886130D+01  0.454491D+00  0.528135D+01 -0.316075D+01
      6   0.287034D+01 -0.168124D+00  0.324809D+01  0.102446D+01 -0.324246D+01
               191           192           193           194           195 
      1   0.155108D+01 -0.130225D+01  0.176986D+00 -0.214108D+02  0.116962D+02
      2  -0.151387D+00  0.166448D+01  0.206933D+01  0.302018D+02 -0.653279D+01
      3  -0.139969D+01 -0.362232D+00 -0.224632D+01 -0.879106D+01 -0.516338D+01
      4   0.672164D+01 -0.246184D+01  0.850010D+01  0.182068D+02 -0.677814D+01
      5  -0.325930D+01  0.555912D+01 -0.464381D+01 -0.638475D+01  0.537811D+01
      6  -0.188706D+01  0.719281D+00 -0.448414D+01 -0.355938D+02  0.196259D+02
               196           197           198           199           200 
      1  -0.338535D+00  0.517348D+01 -0.465042D+01  0.143826D+02 -0.294477D+01
      2   0.131142D+01 -0.100327D+01  0.118595D+01 -0.202793D+02  0.359550D+01
      3  -0.972889D+00 -0.417022D+01  0.346447D+01  0.589669D+01 -0.650734D+00
      4  -0.763826D+00 -0.217464D+01  0.277386D+01 -0.106314D+01  0.478410D+01
      5   0.383587D+01  0.217889D+01 -0.300326D+01 -0.285865D+02  0.458725D+01
      6   0.100949D+01  0.108135D+02 -0.709210D+01  0.325322D+01 -0.595071D+01
               201           202           203           204           205 
      1  -0.375667D+01 -0.476298D+01 -0.164333D+00 -0.140589D+00 -0.242942D+01
      2   0.170178D+02  0.696363D+01 -0.119124D+01 -0.847747D+01  0.123304D+02
      3  -0.132611D+02 -0.220066D+01  0.135557D+01  0.861806D+01 -0.990102D+01
      4  -0.187760D-01  0.442012D+01 -0.238084D+01 -0.451427D+01 -0.535798D+00
      5   0.265577D+02  0.108473D+02 -0.681426D+01 -0.105526D+02  0.198116D+02
      6  -0.876520D+00 -0.558968D+01  0.193818D+01  0.668095D+01 -0.181168D+01
               206           207           208           209           210 
      1   0.164579D-01 -0.211091D+01  0.779264D+01 -0.251056D+01  0.530778D+01
      2  -0.397146D+01 -0.167852D+02 -0.751106D+01  0.142935D+01 -0.580235D+01
      3   0.395501D+01  0.188961D+02 -0.281582D+00  0.108120D+01  0.494574D+00
      4  -0.266990D+01 -0.113516D+01 -0.134062D+01  0.998784D+00  0.985977D+00
      5  -0.411398D+01 -0.222623D+02  0.751709D+01 -0.538775D+00  0.130218D+02
      6   0.532106D+01  0.227551D+01  0.933762D+00  0.313205D+00  0.200810D+01
               211           212           213           214           215 
      1  -0.710741D+01 -0.116839D+01 -0.778985D+00  0.109445D+02  0.984584D+00
      2   0.462739D+01  0.151036D+01  0.191485D+01 -0.930029D+01  0.165249D+01
      3   0.248002D+01 -0.341971D+00 -0.113586D+01 -0.164421D+01 -0.263707D+01
      4   0.233855D+01  0.147735D+01  0.404259D+01  0.435020D+01  0.661987D+01
      5  -0.176315D+01  0.348668D+01 -0.444425D+01  0.191678D+02 -0.805372D+00
      6   0.787579D+00  0.123433D-01  0.279793D+01  0.485526D+01  0.384656D+01
               216           217           218           219           220 
      1   0.383459D+01  0.628603D+02 -0.689377D+01 -0.155727D+02 -0.226052D+02
      2  -0.167929D+02 -0.340344D+02  0.501030D+01  0.870175D+01  0.131552D+02
      3   0.129584D+02 -0.288260D+02  0.188347D+01  0.687098D+01  0.945004D+01
      4   0.298216D+00 -0.568054D+00  0.819291D+01  0.558388D+00  0.994378D+01
      5   0.373845D+02 -0.158794D+02  0.164203D+01  0.127100D+02  0.476351D+01
      6   0.108112D+02 -0.340724D+01  0.258950D+00  0.274537D+01 -0.600574D-01
               221           222           223           224           225 
      1   0.583061D+01  0.419364D+01 -0.285581D+02  0.145292D+01  0.118507D+02
      2  -0.623717D+00 -0.291810D+01  0.159846D+02 -0.208383D+01 -0.967812D+01
      3  -0.520689D+01 -0.127554D+01  0.125736D+02  0.630910D+00 -0.217261D+01
      4  -0.245881D+01 -0.392106D+01 -0.124191D+01 -0.636604D+01 -0.168006D+01
      5  -0.371402D+01 -0.615738D+01  0.169137D+02 -0.242560D+01 -0.105601D+02
      6   0.369094D+00  0.420904D+00  0.258005D+01  0.632237D+00 -0.110224D+01
               226           227           228           229           230 
      1   0.484650D+01  0.505046D+01 -0.233314D+01  0.590151D+01 -0.123530D+02
      2   0.601474D+00 -0.147376D+01  0.122620D+01  0.599463D+01  0.383831D+02
      3  -0.544797D+01 -0.357670D+01  0.110694D+01 -0.118961D+02 -0.260301D+02
      4   0.499668D+01  0.889474D+01 -0.490645D+00  0.216020D+02  0.482998D+02
      5  -0.213623D+01  0.344156D+00  0.179440D+01  0.124054D+01 -0.113837D+01
      6  -0.496870D+00  0.277263D-01 -0.286601D+00  0.118480D+01  0.344039D+01
               231           232           233           234 
      1   0.113332D+01 -0.478467D+01  0.582844D+00 -0.416508D+00
      2  -0.169345D+01  0.129894D+01 -0.253617D+01  0.160813D+01
      3   0.560127D+00  0.348573D+01  0.195332D+01 -0.119162D+01
      4  -0.112438D+01 -0.245492D+01 -0.405752D+01  0.434000D+01
      5   0.602395D+01  0.441588D+01  0.472089D+01  0.954323D+00
      6   0.651921D+01  0.233874D+01  0.620953D+01 -0.560482D+00
 Leave Link  716 at Fri Jul 16 13:48:13 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.122840D+03 -0.572682D+00  0.440514D+00
      2  -0.572682D+00  0.119706D+03  0.482368D+01
      3   0.440514D+00  0.482368D+01  0.106976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.307069D+00  0.295911D+01  0.521639D+01
      2   0.416806D+01  0.161642D+02 -0.331790D+01
      3   0.815323D+01 -0.244365D+02 -0.151796D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.124687D+02 -0.401389D+02  0.689806D+00
      2   0.536177D+01  0.208098D+02  0.812791D+01
      3  -0.178305D+02  0.193291D+02 -0.881772D+01
      4  -0.404958D+02  0.363249D+02  0.274106D+02
      5   0.136151D+02  0.247576D+02 -0.198054D+02
      6   0.102731D+02  0.189655D+02  0.684945D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374168D+01  0.311110D+00 -0.166410D+01  0.231150D+01 -0.106580D+01
      2   0.311110D+00 -0.106604D+01 -0.262240D+01 -0.106580D+01  0.163328D+02
      3  -0.166410D+01 -0.262240D+01 -0.224576D+01 -0.203914D+01  0.325388D+01
                 6             7             8             9            10 
      1  -0.203914D+01 -0.126369D+01 -0.328911D+01 -0.185128D+01  0.100917D+01
      2   0.325388D+01 -0.328911D+01  0.209568D+01  0.379091D+01  0.493972D+00
      3   0.288785D+01 -0.185128D+01  0.379091D+01  0.547565D+01  0.399686D+00
                11            12            13            14            15 
      1   0.493972D+00  0.399686D+00  0.129514D+01  0.362343D+00  0.211966D+01
      2   0.113907D+01  0.341299D+01  0.362343D+00 -0.119700D+02  0.469856D+00
      3   0.341299D+01  0.287212D+01  0.211966D+01  0.469856D+00 -0.139182D+01
                16            17            18            19            20 
      1   0.103873D+01  0.318760D+01  0.290219D+01  0.248398D+01 -0.298059D+01
      2   0.318760D+01  0.230103D+01 -0.401544D+01 -0.298059D+01  0.155124D+01
      3   0.290219D+01 -0.401544D+01 -0.588298D+01 -0.594643D+00  0.118790D+01
                21            22            23            24            25 
      1  -0.594643D+00 -0.304501D+01  0.179732D+01  0.139451D+01 -0.120124D+01
      2   0.118790D+01  0.179732D+01 -0.164156D+02 -0.436760D+01  0.771035D+00
      3   0.764667D+00  0.139451D+01 -0.436760D+01 -0.399385D+01  0.152015D+01
                26            27            28            29            30 
      1   0.771035D+00  0.152015D+01 -0.517467D+01 -0.293366D+00 -0.116132D+01
      2  -0.434328D+01 -0.400772D+01 -0.293366D+00 -0.698185D+00 -0.280118D+01
      3  -0.400772D+01 -0.450766D+01 -0.116132D+01 -0.280118D+01 -0.262925D+01
                31            32            33            34            35 
      1  -0.195201D+01 -0.294130D+01 -0.278661D+01 -0.132472D+01 -0.294589D+01
      2  -0.294130D+01  0.103626D+02 -0.258619D+00 -0.294589D+01 -0.712754D+00
      3  -0.278661D+01 -0.258619D+00  0.174247D+01 -0.449725D+01  0.403770D+01
                36            37            38            39            40 
      1  -0.449725D+01  0.493330D+01  0.190762D+01 -0.266287D+01 -0.211076D+01
      2   0.403770D+01  0.190762D+01  0.956261D+00 -0.971738D+00 -0.474945D-01
      3   0.486526D+01 -0.266287D+01 -0.971738D+00  0.361382D+01 -0.202784D+01
                41            42            43            44            45 
      1  -0.474945D-01 -0.202784D+01 -0.610562D+01 -0.124282D+01  0.256874D+01
      2   0.429579D+01  0.401892D+01 -0.124282D+01  0.343017D+01  0.337750D+00
      3   0.401892D+01 -0.167268D+01  0.256874D+01  0.337750D+00  0.541479D+00
                46            47            48            49            50 
      1  -0.411493D+01  0.126029D+01  0.501755D+01  0.353786D+01 -0.165521D+01
      2   0.126029D+01 -0.150848D+01  0.658031D+00 -0.165521D+01 -0.796425D+01
      3   0.501755D+01  0.658031D+00 -0.184385D+01  0.116568D+01  0.170046D+01
                51            52            53            54            55 
      1   0.116568D+01  0.797713D+01  0.118671D+01 -0.157428D+01  0.280359D+01
      2   0.170046D+01  0.118671D+01  0.258794D+01  0.149079D+01 -0.395285D+01
      3   0.108207D+01 -0.157428D+01  0.149079D+01 -0.262330D+01 -0.147975D+01
                56            57            58            59            60 
      1  -0.395285D+01 -0.147975D+01 -0.365260D+01  0.482437D+01 -0.176358D+01
      2   0.454002D+01 -0.151590D+01  0.482437D+01  0.353170D+01 -0.262310D+01
      3  -0.151590D+01 -0.156972D+01 -0.176358D+01 -0.262310D+01  0.306401D+01
                61            62            63            64            65 
      1  -0.168354D+01 -0.178959D+01 -0.173075D+01  0.409507D+00 -0.994024D+00
      2  -0.178959D+01 -0.331056D+01  0.167114D+01 -0.994024D+00 -0.237192D+01
      3  -0.173075D+01  0.167114D+01  0.339671D+01  0.357433D+01  0.388317D+01
                66            67            68            69            70 
      1   0.357433D+01  0.554693D+00 -0.192144D+01  0.464252D+01  0.319035D+01
      2   0.388317D+01 -0.192144D+01  0.121293D+01 -0.105076D+01  0.294185D+01
      3   0.890904D+00  0.464252D+01 -0.105076D+01 -0.828415D+00  0.112410D+01
                71            72            73            74            75 
      1   0.294185D+01  0.112410D+01  0.801236D+01  0.266456D+01  0.338114D+01
      2  -0.655972D+00 -0.145615D+01  0.266456D+01  0.131343D+01  0.136553D+01
      3  -0.145615D+01 -0.428399D+00  0.338114D+01  0.136553D+01  0.231741D+01
                76            77            78            79            80 
      1   0.201512D+01  0.139939D+01  0.933849D+00  0.340284D+01  0.168049D+01
      2   0.139939D+01  0.212023D+01  0.153169D+01  0.168049D+01  0.206214D+01
      3   0.933849D+00  0.153169D+01  0.130782D+01  0.235182D+01  0.884583D+00
                81            82            83            84            85 
      1   0.235182D+01  0.884663D+00  0.146231D+01 -0.381938D+00  0.144829D+01
      2   0.884583D+00  0.146231D+01  0.212629D+01 -0.296776D+00  0.110266D+01
      3   0.141345D+01 -0.381938D+00 -0.296776D+00 -0.149938D+00 -0.314859D+00
                86            87            88            89            90 
      1   0.110266D+01 -0.314859D+00 -0.810007D+00 -0.742505D+00 -0.124537D+00
      2   0.137905D+02 -0.912726D+00 -0.742505D+00 -0.380147D+01  0.218356D+01
      3  -0.912726D+00  0.100559D+01 -0.124537D+00  0.218356D+01 -0.714614D-01
                91            92            93            94            95 
      1  -0.130073D+01  0.747484D+00  0.143182D+01  0.217718D+00 -0.723804D+00
      2   0.747484D+00 -0.872084D+00 -0.123028D+01 -0.723804D+00  0.371379D+01
      3   0.143182D+01 -0.123028D+01 -0.185004D+01 -0.534500D+00  0.209108D+01
                96            97            98            99           100 
      1  -0.534500D+00  0.164974D+01 -0.151462D+01 -0.177194D+01  0.894879D+01
      2   0.209108D+01 -0.151462D+01  0.370544D+01  0.450416D+01 -0.798016D-01
      3   0.173871D+01 -0.177194D+01  0.450416D+01  0.834446D+01  0.215910D+01
               101           102           103           104           105 
      1  -0.798016D-01  0.215910D+01  0.299528D+01  0.585049D+00  0.669440D+00
      2   0.796674D+00  0.110916D+00  0.585049D+00  0.327409D+00  0.488397D+00
      3   0.110916D+00  0.158701D+01  0.669440D+00  0.488397D+00  0.455958D+00
               106           107           108           109           110 
      1   0.384160D+01 -0.153524D+00  0.220452D+01  0.241446D+01 -0.937209D+00
      2  -0.153524D+00  0.807455D+00 -0.226700D+00 -0.937209D+00  0.398805D+00
      3   0.220452D+01 -0.226700D+00  0.112120D+01 -0.166460D+01  0.997050D+00
               111           112           113           114           115 
      1  -0.166460D+01 -0.824363D+00  0.183608D+01  0.110172D+01 -0.377179D+01
      2   0.997050D+00  0.183608D+01 -0.334747D+01 -0.161307D+01  0.304488D+01
      3   0.173732D+01  0.110172D+01 -0.161307D+01 -0.163223D+01  0.369467D+01
               116           117           118           119           120 
      1   0.304488D+01  0.369467D+01 -0.363857D+00 -0.407953D+00  0.510622D+00
      2  -0.332245D+01 -0.369322D+01 -0.407953D+00 -0.195970D+01  0.432000D+00
      3  -0.369322D+01 -0.735031D+01  0.510622D+00  0.432000D+00 -0.104015D+00
               121           122           123           124           125 
      1  -0.199674D+01  0.206873D+01  0.311327D+00  0.968504D+00 -0.165277D+00
      2   0.206873D+01 -0.106518D+02  0.175200D+01 -0.165277D+00  0.318776D+01
      3   0.311327D+00  0.175200D+01 -0.142943D+01  0.771112D+00 -0.236385D+01
               126           127           128           129           130 
      1   0.771112D+00  0.385767D+00 -0.104506D+01 -0.766016D-01 -0.164473D+01
      2  -0.236385D+01 -0.104506D+01 -0.327697D+00  0.111942D+00  0.777255D+00
      3   0.573526D+00 -0.766016D-01  0.111942D+00 -0.182996D+00  0.413261D+00
               131           132           133           134           135 
      1   0.777255D+00  0.413261D+00 -0.191824D-01  0.511429D+00  0.996746D-01
      2  -0.773025D+01 -0.332327D+01  0.511429D+00 -0.283655D+01 -0.218744D+01
      3  -0.332327D+01 -0.217197D+01  0.996746D-01 -0.218744D+01 -0.229157D+01
               136           137           138           139           140 
      1  -0.652503D+00 -0.241438D+01 -0.448726D+01 -0.325312D+01  0.965038D+00
      2  -0.241438D+01  0.488763D+00  0.241456D+00  0.965038D+00  0.664655D+01
      3  -0.448726D+01  0.241456D+00  0.126497D+01  0.342956D+00 -0.268821D+01
               141           142           143           144           145 
      1   0.342956D+00 -0.477691D+01  0.100858D+00  0.152170D+01  0.191282D+01
      2  -0.268821D+01  0.100858D+00 -0.151944D+01 -0.183050D+01 -0.281507D+01
      3  -0.195625D+01  0.152170D+01 -0.183050D+01  0.189163D+01 -0.392691D+01
               146           147           148           149           150 
      1  -0.281507D+01 -0.392691D+01 -0.445431D+01  0.164596D+01 -0.272956D+00
      2   0.127499D+00 -0.258210D+00  0.164596D+01  0.740934D+01 -0.101556D+01
      3  -0.258210D+00  0.145546D+01 -0.272956D+00 -0.101556D+01 -0.194696D+01
               151           152           153           154           155 
      1  -0.510206D+01 -0.190812D+00  0.224758D+01 -0.684320D+01  0.442034D+01
      2  -0.190812D+00 -0.130514D+01 -0.156014D+01  0.442034D+01 -0.414071D+01
      3   0.224758D+01 -0.156014D+01  0.467000D+01  0.705874D-01  0.291925D+00
               156           157           158           159           160 
      1   0.705874D-01  0.328013D+01 -0.352435D+01  0.395251D+00  0.286093D+00
      2   0.291925D+00 -0.352435D+01  0.436561D+01  0.838892D-01  0.294810D+00
      3  -0.669124D+00  0.395251D+00  0.838892D-01  0.428406D+00 -0.927643D+00
               161           162           163           164           165 
      1   0.294810D+00 -0.927643D+00 -0.410995D+01 -0.343059D+00 -0.330225D+01
      2   0.261350D+00  0.925068D+00 -0.343059D+00 -0.586776D+00 -0.171714D+00
      3   0.925068D+00 -0.239406D+00 -0.330225D+01 -0.171714D+00 -0.418449D+01
               166           167           168           169           170 
      1  -0.839210D+00 -0.664050D+00 -0.679232D+00 -0.269578D+01 -0.280965D+00
      2  -0.664050D+00 -0.453738D+00 -0.738619D+00 -0.280965D+00 -0.538177D+00
      3  -0.679232D+00 -0.738619D+00 -0.694050D+00 -0.338194D+01 -0.700708D-01
               171           172           173           174           175 
      1  -0.338194D+01  0.317365D+01  0.160798D+01 -0.270990D+01  0.121063D+01
      2  -0.700708D-01  0.160798D+01  0.191292D+01 -0.211074D+01  0.146381D+01
      3  -0.635747D+01 -0.270990D+01 -0.211074D+01  0.340904D+01 -0.162620D+01
               176           177           178           179           180 
      1   0.146381D+01 -0.162620D+01 -0.137735D+01 -0.954456D+00  0.155797D+01
      2   0.238785D+01 -0.198052D+01 -0.954456D+00 -0.111116D+01  0.179331D+01
      3  -0.198052D+01  0.257459D+01  0.155797D+01  0.179331D+01 -0.411537D+01
               181           182           183           184           185 
      1   0.465184D+01  0.103680D+01  0.151850D+01  0.158418D+01  0.598423D+00
      2   0.103680D+01  0.932670D+00 -0.271207D+00  0.598423D+00 -0.129132D+00
      3   0.151850D+01 -0.271207D+00  0.308455D+01 -0.317978D-01  0.594302D+00
               186           187           188           189           190 
      1  -0.317978D-01  0.174432D+01  0.928288D-01  0.161488D+01 -0.398765D+00
      2   0.594302D+00  0.928288D-01  0.571355D+00  0.550007D+00 -0.848894D+00
      3   0.133267D+01  0.161488D+01  0.550007D+00  0.217400D+01  0.942018D+00
               191           192           193           194           195 
      1  -0.848894D+00  0.942018D+00 -0.106257D+01 -0.109063D+01  0.407749D+00
      2  -0.402675D+00  0.129799D+00 -0.109063D+01 -0.840695D+01  0.333917D+01
      3   0.129799D+00 -0.490741D+00  0.407749D+00  0.333917D+01 -0.267974D+01
               196           197           198           199           200 
      1   0.384545D+00  0.831683D-01 -0.346661D+00 -0.472591D+01  0.842392D+00
      2   0.831683D-01  0.108279D+01 -0.122899D+01  0.842392D+00 -0.107986D+01
      3  -0.346661D+00 -0.122899D+01  0.990300D+00  0.368556D+01 -0.332532D+00
               201           202           203           204           205 
      1   0.368556D+01  0.195158D+01 -0.105071D+01 -0.125845D+01  0.246835D+01
      2  -0.332532D+00 -0.105071D+01  0.236533D+00  0.120671D+01 -0.445097D+00
      3  -0.404895D+01 -0.125845D+01  0.120671D+01  0.206683D+01 -0.272948D+01
               206           207           208           209           210 
      1  -0.445097D+00 -0.272948D+01 -0.114005D+01  0.519473D+00 -0.118272D+01
      2   0.742256D+00  0.707182D+00  0.519473D+00 -0.338018D-01 -0.238274D-01
      3   0.707182D+00  0.395633D+01 -0.118272D+01 -0.238274D-01 -0.151063D+01
               211           212           213           214           215 
      1   0.118661D+01 -0.315421D+00  0.136231D+00 -0.237608D+01 -0.494919D+00
      2  -0.315421D+00 -0.322153D+00 -0.771234D+00 -0.494919D+00 -0.109190D+01
      3   0.136231D+00 -0.771234D+00  0.799168D+00 -0.249720D+01  0.284003D+00
               216           217           218           219           220 
      1  -0.249720D+01 -0.859753D+01  0.674768D+00  0.221957D+01  0.355610D+01
      2   0.284003D+00  0.674768D+00 -0.959324D+00 -0.257991D+00 -0.133828D+01
      3  -0.677502D+01  0.221957D+01 -0.257991D+00 -0.148042D+01 -0.594727D+00
               221           222           223           224           225 
      1  -0.133828D+01 -0.594727D+00  0.462579D+01 -0.110541D-01 -0.210646D+01
      2   0.988831D-01  0.563707D+00 -0.110541D-01  0.918250D+00  0.409702D+00
      3   0.563707D+00  0.904003D+00 -0.210646D+01  0.409702D+00  0.135809D+01
               226           227           228           229           230 
      1  -0.860134D+00 -0.836846D+00  0.384384D+00 -0.230939D+01 -0.308791D+01
      2  -0.836846D+00 -0.276380D+00  0.417786D-01 -0.308791D+01 -0.944119D+01
      3   0.384384D+00  0.417786D-01 -0.373311D-01 -0.104275D+00  0.249225D+00
               231           232           233           234 
      1  -0.104275D+00  0.930002D+00  0.324987D+00 -0.639689D+00
      2   0.249225D+00  0.324987D+00  0.795244D+00 -0.929663D+00
      3  -0.992744D+00 -0.639689D+00 -0.929663D+00 -0.129152D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.134704D+01  0.109224D+01  0.329808D+00  0.243003D+01  0.940549D+01
      2   0.236680D+01 -0.196922D+01 -0.262533D+01  0.579669D+00  0.966331D+01
      3  -0.328082D+01 -0.440459D+01  0.161098D+01  0.226017D+01 -0.446944D+02
                 6             7             8             9            10 
      1  -0.129982D+01  0.134926D+01  0.501577D+01  0.488093D+00 -0.772567D+00
      2   0.105397D+02 -0.929904D+01  0.144556D+02  0.158487D+02 -0.870943D+00
      3  -0.126209D+02  0.189426D+01 -0.966959D+01 -0.142977D+02  0.406666D+01
                11            12            13            14            15 
      1  -0.717343D+01 -0.398033D+01 -0.369565D+01 -0.174453D+02  0.498306D+00
      2   0.282927D+01  0.278688D+01  0.410351D+00 -0.487114D+01 -0.203378D+01
      3  -0.584219D+01 -0.343888D+01  0.378159D+01  0.976937D+01  0.613485D+01
                16            17            18            19            20 
      1  -0.599313D+01  0.178555D+02  0.141271D+02 -0.150306D+01 -0.194734D+01
      2  -0.728968D+00 -0.259630D+01 -0.544731D+01 -0.165707D+01  0.599686D+01
      3  -0.163552D+01  0.100130D+02  0.112715D+02  0.110098D+02 -0.740750D+01
                21            22            23            24            25 
      1  -0.253060D+00 -0.204088D+01 -0.119593D+02 -0.305127D+01 -0.263327D+01
      2   0.184129D+01  0.417195D+01 -0.110208D+02 -0.117628D+02 -0.563552D+01
      3  -0.448719D+01  0.259599D+01  0.438574D+02  0.139452D+02 -0.319058D+01
                26            27            28            29            30 
      1   0.504057D+01  0.247620D+01 -0.127872D+01 -0.598027D+01 -0.479795D+01
      2  -0.112176D+02 -0.168857D+02 -0.528508D+01 -0.919413D+01 -0.597468D+01
      3   0.136258D+02  0.116143D+02  0.109053D+02 -0.165082D+01  0.103831D+02
                31            32            33            34            35 
      1  -0.303449D+01 -0.666783D+01  0.218386D+01 -0.111049D+02  0.145261D+02
      2  -0.870607D+01 -0.262060D+01  0.407267D+01 -0.170410D+02  0.141230D+02
      3   0.148589D+02 -0.309240D+02  0.551444D+01  0.106543D+02  0.104165D+02
                36            37            38            39            40 
      1   0.985488D+01 -0.730717D+00  0.584880D+00  0.503381D+01 -0.440829D+01
      2   0.149408D+02  0.925491D+01  0.317785D+01  0.331246D+01 -0.320109D+01
      3  -0.433486D+01 -0.147358D+02 -0.823468D+01 -0.122204D+01  0.786120D+01
                41            42            43            44            45 
      1   0.110429D+01 -0.114474D+02  0.788726D+01  0.298124D+00  0.503392D+01
      2   0.243348D+01 -0.508950D+01 -0.990449D+01 -0.426166D+01  0.485344D+01
      3   0.209576D+01  0.319014D+01  0.528722D+01 -0.118450D+00 -0.674481D+01
                46            47            48            49            50 
      1   0.430670D+01 -0.416378D+00 -0.227309D+01 -0.892167D+00 -0.147780D+01
      2  -0.139050D+02 -0.315761D+01  0.677838D+01  0.108078D+01 -0.158380D+01
      3   0.128647D+02 -0.523055D+01 -0.168732D+01 -0.294871D+01 -0.160688D+02
                51            52            53            54            55 
      1  -0.200183D+01 -0.260230D+01  0.736329D+01 -0.296658D+01  0.282613D+01
      2  -0.802396D+00 -0.101950D+00 -0.335385D+01  0.667454D+01  0.282863D+01
      3   0.243583D+01 -0.796516D+01  0.232127D+01  0.517941D+01 -0.408154D+01
                56            57            58            59            60 
      1   0.236151D+01  0.647832D+01  0.293982D+01  0.410062D+01 -0.677351D+01
      2   0.178913D+01  0.445821D+01  0.159118D+01  0.269243D+01 -0.374691D+01
      3  -0.569999D+01 -0.362363D+01  0.390300D+01  0.123774D+02 -0.539612D+01
                61            62            63            64            65 
      1   0.455141D+01  0.439242D+00 -0.903605D+01 -0.270345D+01  0.288636D+01
      2  -0.232670D+01 -0.237371D+01 -0.505264D+01 -0.696365D+00 -0.414654D+01
      3  -0.518690D+01 -0.675849D+01 -0.120701D+01  0.275500D+01 -0.420606D+01
                66            67            68            69            70 
      1  -0.126831D+02  0.606884D+01 -0.190324D+01  0.747805D+01 -0.106989D+02
      2   0.103133D+02 -0.674778D+00 -0.433678D+01  0.144502D+02  0.321692D+01
      3   0.678983D+01 -0.192302D+01 -0.202647D+01 -0.166863D+01  0.511463D+01
                71            72            73            74            75 
      1   0.779499D+01  0.222930D+01 -0.205311D+01  0.304801D+00 -0.287546D+01
      2   0.901622D+01  0.437973D+01 -0.518282D+00  0.117571D+01  0.556989D+01
      3   0.492657D+00  0.115356D+01  0.539044D+01 -0.186382D+01  0.144962D+01
                76            77            78            79            80 
      1  -0.307387D+00 -0.642481D+00 -0.105942D+01 -0.188787D+01  0.260280D+01
      2  -0.196461D+00  0.292633D+01  0.281276D+01  0.670583D+00 -0.142095D+01
      3   0.124780D+01 -0.235178D+01 -0.162374D+01  0.132833D+01 -0.418832D+01
                81            82            83            84            85 
      1  -0.123525D+01  0.177158D+01  0.269148D+01  0.379430D-01  0.484067D+00
      2   0.109181D+01 -0.813891D+00 -0.341446D+00  0.145530D+01 -0.127044D+01
      3   0.143960D+01  0.211473D+01  0.138138D+01 -0.710658D+00  0.704959D+01
                86            87            88            89            90 
      1   0.133517D+02 -0.611269D+01  0.639190D+00 -0.777745D+01  0.250919D+01
      2   0.157832D+01  0.729084D+00 -0.555348D+00  0.753045D+00  0.339607D+00
      3  -0.573530D+01 -0.490800D+00 -0.272031D+01 -0.234595D+00 -0.198594D+01
                91            92            93            94            95 
      1  -0.317851D+01  0.183253D+01  0.411908D+01  0.350028D+00 -0.520575D+00
      2   0.228533D+01 -0.125670D+01 -0.106713D+01 -0.795915D+00  0.243968D+01
      3  -0.463881D+01  0.673420D+00  0.427192D+01  0.223265D+01 -0.433714D+01
                96            97            98            99           100 
      1  -0.277296D+01  0.341994D+01 -0.460570D+01 -0.175763D+02  0.386905D+01
      2   0.817991D+00 -0.542495D+01  0.285200D+01  0.435869D+01  0.776744D+01
      3  -0.278234D+01  0.793728D+01 -0.665406D+01 -0.749853D+01 -0.129478D+02
               101           102           103           104           105 
      1   0.883202D+00  0.256140D+01  0.832105D+00  0.122250D+01 -0.152048D+00
      2   0.288095D+00  0.774536D+01  0.200156D+01  0.149210D+01  0.207557D+01
      3  -0.518771D+01 -0.396684D+01 -0.354458D+01 -0.275001D+01 -0.242860D+01
               106           107           108           109           110 
      1   0.289578D+01  0.683617D+00  0.127197D+01 -0.263532D+01  0.179377D+01
      2   0.512816D+01  0.195529D-01  0.450509D+01 -0.330444D+01  0.256667D+01
      3  -0.529234D+01 -0.353759D+01 -0.222058D+01 -0.683511D+00 -0.193594D+01
               111           112           113           114           115 
      1   0.332700D+01  0.186820D+01 -0.100069D+01 -0.350598D+01  0.639806D+01
      2   0.541984D+01  0.280758D+01 -0.415570D+01 -0.475369D+01  0.699357D+01
      3  -0.127819D+01 -0.272617D+01  0.773782D+01  0.302401D+01 -0.222426D+01
               116           117           118           119           120 
      1  -0.459845D+01 -0.126057D+02  0.543651D+00  0.212513D+01 -0.431155D+00
      2  -0.935431D+01 -0.210386D+02  0.136608D+01  0.222430D+01  0.455438D+00
      3   0.559000D+01  0.538294D+01  0.225195D+01  0.575731D+01 -0.249439D+01
               121           122           123           124           125 
      1  -0.819742D+00  0.636554D+01 -0.535073D+01  0.161943D+01 -0.467701D+01
      2   0.126268D+01  0.493636D+01 -0.425405D+01  0.716230D+00 -0.584731D+01
      3  -0.537153D+00  0.297794D+02 -0.605881D+01 -0.200202D+01 -0.102431D+02
               126           127           128           129           130 
      1   0.184319D+01  0.123497D+01 -0.342315D+00 -0.149183D+00 -0.547453D+00
      2   0.200058D+01  0.973782D+00 -0.998040D+00  0.963291D+00 -0.290399D+01
      3   0.568587D+01 -0.591900D+00 -0.122538D+00 -0.185427D+00  0.574365D+01
               131           132           133           134           135 
      1   0.573745D+01 -0.230352D+01 -0.212513D+00  0.309216D+01 -0.900120D+00
      2   0.824366D+00  0.198997D+00 -0.228785D+01  0.330613D-01 -0.612255D+00
      3   0.397056D+00 -0.897878D-01  0.850716D+00  0.413461D+00  0.150051D+00
               136           137           138           139           140 
      1  -0.117137D+02  0.482663D+00  0.224678D+01  0.314910D+01  0.134689D+02
      2   0.116811D+02  0.507616D+01  0.113265D+02  0.651716D+01  0.139795D+01
      3  -0.353055D+01  0.370634D+00  0.509477D+01  0.668670D+01  0.908108D+01
               141           142           143           144           145 
      1  -0.123434D+02  0.955379D+00 -0.399964D+01 -0.294795D+01 -0.300861D+01
      2   0.145469D+01  0.669610D+01  0.319280D+01 -0.441566D+01  0.127863D+02
      3  -0.431253D+01  0.427837D+01 -0.263807D+01 -0.375892D+01 -0.142022D+02
               146           147           148           149           150 
      1   0.729373D-01  0.266222D+01 -0.702946D+00 -0.372034D+01 -0.389586D+01
      2  -0.978240D+00 -0.558379D+01 -0.297867D+01  0.275859D+01  0.560666D+01
      3   0.298657D+01  0.400043D+01  0.133109D+02  0.226543D+02 -0.247611D+01
               151           152           153           154           155 
      1   0.459347D+01  0.709422D+00  0.809466D+01 -0.125326D+01  0.626875D+00
      2  -0.151327D+02  0.387260D+01 -0.168731D+02 -0.126792D+01  0.826648D+00
      3   0.536183D+01 -0.301675D+01 -0.791459D+01 -0.734115D+01 -0.154048D+01
               156           157           158           159           160 
      1   0.271803D+01  0.419876D+00 -0.160125D+01 -0.315363D+01  0.138160D+01
      2   0.348278D+01  0.305342D+00 -0.106281D+01 -0.212530D+01  0.437751D-03
      3   0.249747D+00  0.405760D+01  0.841422D+00  0.672129D+00  0.593785D+00
               161           162           163           164           165 
      1  -0.397029D+00  0.398199D+00  0.377714D+01  0.405861D+01  0.415561D+01
      2  -0.849288D+00  0.126865D+00 -0.107554D+02 -0.171689D+01 -0.372554D+01
      3   0.124808D+01 -0.331132D+00 -0.336620D+01 -0.289384D+01 -0.232686D+01
               166           167           168           169           170 
      1   0.205436D+01  0.200781D+01  0.379683D+00  0.369200D+01  0.326602D+01
      2  -0.259379D+01 -0.103853D+01 -0.158901D+01 -0.730321D+01 -0.138802D+01
      3   0.485241D+00 -0.162181D+00 -0.499123D+00 -0.153983D+01 -0.176742D+01
               171           172           173           174           175 
      1   0.376691D+01 -0.161532D+01 -0.445483D+01  0.502205D+00 -0.256315D+01
      2  -0.308434D+01  0.944919D+01  0.364360D+01 -0.420994D+01  0.420142D+01
      3  -0.162630D+01  0.448075D+01  0.519996D+00 -0.247896D+01  0.401851D+01
               176           177           178           179           180 
      1  -0.367989D+01 -0.764107D-01  0.101289D+01  0.267294D+01 -0.525129D+00
      2   0.360523D+01 -0.398712D+01 -0.523660D+01 -0.316835D+01  0.386644D+01
      3   0.896808D+00 -0.196778D+01 -0.254096D+01 -0.270808D+00  0.218729D+01
               181           182           183           184           185 
      1   0.631014D+01  0.393724D+01  0.103869D+01  0.321614D+01  0.146298D+01
      2  -0.185390D+02 -0.441998D+01 -0.328089D+01 -0.585336D+01 -0.238953D+01
      3  -0.272834D+01 -0.153065D+01 -0.119269D+01  0.961266D+00 -0.315892D+00
               186           187           188           189           190 
      1   0.975527D+00  0.224964D+01  0.274880D+01  0.238191D+01 -0.402840D+00
      2  -0.478207D+00 -0.718049D+01 -0.103577D+01 -0.471919D+01 -0.805042D+00
      3   0.125938D+00 -0.723363D+00 -0.640784D+00 -0.587284D+00 -0.762908D+00
               191           192           193           194           195 
      1  -0.763641D+00 -0.616331D+00 -0.182239D+01 -0.160110D+02  0.947322D+00
      2   0.116238D+01 -0.311209D+00  0.280254D+01 -0.225175D+01  0.287920D+01
      3  -0.588645D+00 -0.582207D+00  0.294274D+01 -0.997659D+01  0.399346D+01
               196           197           198           199           200 
      1  -0.240196D-01  0.307968D+01 -0.166805D+01  0.561162D+01 -0.447413D+01
      2  -0.149735D+01  0.811577D+00 -0.505373D+00  0.599180D+01 -0.188075D+01
      3  -0.472799D+00  0.127451D+01 -0.112733D+01  0.451374D+01 -0.423865D+01
               201           202           203           204           205 
      1  -0.427466D+01 -0.300075D+01  0.238111D+01  0.314293D+01 -0.356839D+01
      2   0.236916D+00 -0.302696D+01  0.121514D-01 -0.127770D+01 -0.475807D+01
      3  -0.366356D+01 -0.163179D+01  0.188010D+01  0.252048D+01 -0.254568D+01
               206           207           208           209           210 
      1   0.375053D+01  0.500844D+01 -0.191855D+01  0.105343D+00 -0.129924D+01
      2   0.140726D+00 -0.340491D-01  0.272867D+01  0.842558D+00  0.415707D+01
      3   0.220524D+01  0.339981D+01  0.238107D+01 -0.112671D+01  0.105506D+01
               211           212           213           214           215 
      1  -0.919408D-01 -0.911890D+00  0.107552D+01 -0.153723D+01  0.408467D+01
      2   0.152589D+01  0.237666D+01 -0.341787D+01  0.195279D+01 -0.264373D+01
      3  -0.702882D+00 -0.692003D-01 -0.226021D+01  0.766017D+00 -0.384057D+01
               216           217           218           219           220 
      1  -0.868093D+01  0.239991D+01 -0.621097D+00 -0.145965D+01 -0.535389D+00
      2   0.207454D+02 -0.958544D+01  0.125804D+01  0.866251D+01  0.305460D+01
      3   0.411795D+01  0.122504D+02 -0.632645D+01 -0.351245D+01 -0.595061D+01
               221           222           223           224           225 
      1   0.826584D+00 -0.247698D+00 -0.216602D+01  0.112892D+01  0.754971D+00
      2  -0.218119D+01 -0.390832D+01  0.657878D+01 -0.128956D+01 -0.556026D+01
      3   0.258241D+01  0.232176D+01 -0.509282D+01  0.417547D+01  0.377508D+01
               226           227           228           229           230 
      1   0.769746D+00  0.333871D+00 -0.117698D+00  0.429460D+00  0.369545D+01
      2  -0.125561D+01 -0.386491D+00  0.130141D+01 -0.111175D+00 -0.162434D+01
      3  -0.180617D+01 -0.151018D+01 -0.464737D+00 -0.261112D+01 -0.248254D+02
               231           232           233           234 
      1  -0.462143D+01 -0.503645D+00 -0.245206D+00  0.313706D+00
      2   0.358915D+01  0.103910D+01  0.181714D+01  0.276764D+00
      3   0.101729D+01 -0.934156D+00  0.180260D+01 -0.172249D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.167106D+02  0.432911D+01 -0.249432D+01  0.585558D+01 -0.288017D+02
      2   0.115166D+02 -0.188488D+01  0.256562D+01  0.167956D+01  0.338505D+02
      3   0.519397D+01 -0.244423D+01 -0.713007D-01 -0.753514D+01 -0.504879D+01
      4  -0.757807D+01  0.669240D+00 -0.120314D+02 -0.519366D+01  0.513214D+02
      5  -0.176093D+02 -0.780103D+01 -0.586846D+01 -0.115122D+02  0.503316D+01
      6  -0.535532D+01 -0.830142D+01 -0.596918D+01 -0.458641D+01  0.718881D+01
                 6             7             8             9            10 
      1  -0.127529D+02 -0.471355D+01 -0.149533D+02 -0.188027D+02  0.309385D+01
      2   0.996325D+01  0.291490D+01  0.197124D+01  0.299163D+01  0.133233D+01
      3   0.278962D+01  0.179865D+01  0.129821D+02  0.158111D+02 -0.442618D+01
      4   0.470108D+01 -0.209820D+02  0.161909D+01  0.115606D+02 -0.192098D+01
      5   0.463592D+01 -0.531632D+01  0.746065D+01  0.922450D+01  0.258455D+01
      6   0.718064D+01 -0.340752D+01  0.115177D+02  0.580785D+01  0.129146D+01
                11            12            13            14            15 
      1  -0.532072D+01 -0.106077D+02  0.125691D+01  0.424462D+02  0.299742D+01
      2  -0.370220D+01  0.102289D+02 -0.595127D+01 -0.629043D+02  0.681943D+01
      3   0.902293D+01  0.378858D+00  0.469435D+01  0.204581D+02 -0.981684D+01
      4   0.350072D+01  0.422486D+01  0.830418D+01 -0.198244D+02  0.449874D+01
      5   0.131050D+01 -0.167384D+01  0.322295D+01  0.208973D+00  0.251298D+01
      6   0.160828D+02  0.133707D+02  0.700701D+01  0.529898D+01 -0.633015D+01
                16            17            18            19            20 
      1  -0.105174D+02 -0.733170D+00  0.214445D+02  0.170994D+02 -0.104784D+01
      2   0.614241D+01  0.232675D+02 -0.767110D+01 -0.136747D+02 -0.242873D+01
      3   0.437500D+01 -0.225343D+02 -0.137734D+02 -0.342469D+01  0.347658D+01
      4   0.421097D+01  0.856671D+01  0.406616D+01 -0.511015D+01  0.709194D+01
      5   0.500077D-01  0.565440D+01  0.636330D+01  0.159493D+01  0.825348D+01
      6   0.129331D+02 -0.210051D+02 -0.272835D+02 -0.280607D+01 -0.587929D+01
                21            22            23            24            25 
      1   0.430954D+01  0.128636D+01  0.123968D+02  0.114614D+02 -0.209801D+01
      2  -0.353110D+01 -0.273991D+01 -0.788905D+01 -0.246351D+01 -0.124926D+01
      3  -0.778439D+00  0.145355D+01 -0.450775D+01 -0.899786D+01  0.334727D+01
      4   0.581976D+01  0.307054D+01 -0.540249D+02 -0.157173D+02 -0.363310D-01
      5   0.604968D+01  0.518089D+01 -0.110622D+02 -0.101384D+02  0.134058D+02
      6  -0.747893D+00 -0.187940D+01 -0.795599D+01 -0.911834D+00 -0.109732D+01
                26            27            28            29            30 
      1   0.108283D+02  0.113218D+02 -0.356710D+02 -0.120989D+01 -0.158615D+02
      2  -0.101014D+02 -0.128115D+02  0.268419D+02 -0.657757D+01  0.996211D+01
      3  -0.726917D+00  0.148974D+01  0.882909D+01  0.778746D+01  0.589937D+01
      4  -0.160153D+02 -0.135527D+02 -0.184826D+01  0.139845D+01 -0.107603D+02
      5  -0.107990D+02 -0.137555D+02 -0.112870D+02 -0.148677D+02 -0.167695D+02
      6   0.397633D+01 -0.534157D+01  0.168021D+01  0.850037D+01  0.702955D+01
                31            32            33            34            35 
      1  -0.148805D+02  0.117620D+02 -0.173303D+02 -0.181658D+02 -0.217129D+02
      2   0.671419D+01 -0.258725D+02  0.167264D+02  0.651282D+01  0.261644D+02
      3   0.816628D+01  0.141105D+02  0.603927D+00  0.116530D+02 -0.445147D+01
      4  -0.508237D+01  0.402815D+02  0.219302D+01 -0.134237D+02  0.118133D+01
      5  -0.144729D+02 -0.415041D+01  0.105444D+02 -0.283188D+02  0.257855D+02
      6   0.245040D+01  0.125985D+02 -0.817011D+01  0.134076D+02 -0.182169D+02
                36            37            38            39            40 
      1  -0.144180D+02 -0.130997D+02 -0.400042D+01  0.128311D+01 -0.127849D+02
      2   0.107419D+02  0.979411D+01  0.337758D+01 -0.240184D+01  0.728450D+00
      3   0.367605D+01  0.330561D+01  0.622842D+00  0.111872D+01  0.120564D+02
      4   0.226351D+02  0.477706D+01  0.170057D+01  0.468653D+01  0.176412D+01
      5   0.314946D+02  0.439900D+01 -0.150933D+00 -0.791245D+00 -0.114129D+01
      6  -0.175084D+02  0.705149D+01  0.322403D+00  0.320976D+01  0.790802D-02
                41            42            43            44            45 
      1   0.204436D+02  0.371856D+01  0.951647D+01  0.112246D+02  0.882285D+00
      2  -0.117670D+02 -0.974539D+01 -0.285939D+01 -0.132371D+02  0.447834D+01
      3  -0.867670D+01  0.602683D+01 -0.665709D+01  0.201257D+01 -0.536062D+01
      4  -0.731337D+01 -0.138758D+01  0.893374D+01 -0.272085D+00  0.138476D+01
      5   0.136959D+01  0.514844D+01 -0.537137D+01  0.111622D+01 -0.549189D+00
      6  -0.130860D+02 -0.178261D+02 -0.757228D+00 -0.103999D+02  0.356929D+01
                46            47            48            49            50 
      1   0.133212D+01 -0.812903D+01 -0.137034D+02 -0.978837D+01 -0.402124D+01
      2  -0.764752D+01  0.192358D+01  0.107177D+02  0.807907D+01  0.321208D+01
      3   0.631540D+01  0.620546D+01  0.298571D+01  0.170929D+01  0.809160D+00
      4  -0.139298D+02  0.319042D+01 -0.919370D+01  0.498642D+01  0.184720D+02
      5  -0.168926D+02 -0.481831D+01  0.741926D+01  0.102490D+01 -0.600456D+01
      6  -0.100054D+02  0.652735D-01  0.182507D+01 -0.797700D+00 -0.418082D+01
                51            52            53            54            55 
      1  -0.516824D+01 -0.194553D+02 -0.806161D+01  0.959758D+01 -0.913649D+01
      2  -0.196366D+01  0.107348D+02  0.382721D+01 -0.526080D+01 -0.523132D+01
      3   0.713190D+01  0.872048D+01  0.423440D+01 -0.433679D+01  0.143678D+02
      4  -0.792479D+01 -0.840829D+01 -0.850000D+01  0.237035D+01  0.218421D+02
      5  -0.430577D+01  0.103556D+02 -0.623291D+00  0.433074D+01  0.933439D-01
      6   0.753503D+01  0.570670D+01 -0.262770D+00  0.241091D+01  0.201937D+01
                56            57            58            59            60 
      1   0.754936D+01  0.346339D+01  0.328703D+01 -0.127498D+02  0.285561D+01
      2   0.546160D+01 -0.103042D+02  0.432147D+01  0.933456D+01 -0.795964D+00
      3  -0.130110D+02  0.684078D+01 -0.760850D+01  0.341526D+01 -0.205964D+01
      4  -0.236590D+02  0.207084D+01 -0.216742D+02  0.632867D+01  0.318013D+01
      5   0.231190D+01  0.948276D+00 -0.156965D+01  0.244121D+01  0.352011D+00
      6  -0.100262D+02 -0.606016D+01 -0.602567D+01  0.364963D+01 -0.411040D+00
                61            62            63            64            65 
      1   0.739723D+00  0.602811D+01  0.139267D+01  0.757079D+01  0.795227D+01
      2  -0.534874D+01 -0.761499D+01  0.817280D+01  0.696576D+01  0.167126D+01
      3   0.460902D+01  0.158688D+01 -0.956547D+01 -0.145365D+02 -0.962353D+01
      4   0.470818D+01  0.494409D+01 -0.780210D+01 -0.458223D+01 -0.246778D+00
      5   0.307847D+01 -0.228549D+01 -0.145660D+01 -0.387269D+01  0.355243D+01
      6  -0.548781D+01  0.573970D+01  0.724967D+01  0.687329D+01  0.142412D+02
                66            67            68            69            70 
      1  -0.288839D+01  0.127402D+02 -0.291815D+01 -0.132247D+01  0.113508D+01
      2   0.150421D+02  0.417736D+01 -0.245860D+01 -0.191965D+01  0.111817D+02
      3  -0.121537D+02 -0.169176D+02  0.537676D+01  0.324212D+01 -0.123168D+02
      4   0.275067D+01  0.245138D+01 -0.287587D+01  0.878470D+01 -0.266053D+01
      5  -0.183600D+02  0.168085D+01  0.572033D+01 -0.139171D+02 -0.138175D+02
      6  -0.103909D+02  0.130904D+02 -0.524688D+01  0.557166D+01 -0.490857D+01
                71            72            73            74            75 
      1  -0.659197D+01 -0.442920D+01  0.352960D+02  0.996163D+01  0.109378D+02
      2   0.456417D+01 -0.115565D+01 -0.196255D+02 -0.460189D+01 -0.919407D+01
      3   0.202780D+01  0.558485D+01 -0.156705D+02 -0.535974D+01 -0.174372D+01
      4   0.499659D+01 -0.434368D+00  0.277601D+02  0.149804D+02  0.121411D+02
      5  -0.629002D+01 -0.525889D+01  0.240241D+02  0.949638D+01  0.167399D+02
      6  -0.122818D+00  0.116621D+01  0.815605D+01  0.520661D+01  0.589529D+01
                76            77            78            79            80 
      1   0.494337D+01  0.630168D+00 -0.507454D+00  0.115991D+02  0.323821D+01
      2  -0.735324D+00  0.241967D+01  0.535043D+00 -0.846305D+01  0.623521D+00
      3  -0.420805D+01 -0.304984D+01 -0.275893D-01 -0.313605D+01 -0.386174D+01
      4   0.135648D+02  0.125905D+02  0.891988D+01  0.138417D+02  0.128684D+02
      5   0.623240D+01  0.800590D+01  0.653913D+01  0.158092D+02  0.564938D+01
      6   0.506425D+01  0.663357D+01  0.570748D+01  0.622094D+01  0.508173D+01
                81            82            83            84            85 
      1   0.588158D+01 -0.161564D+01 -0.488183D+01  0.431386D+00 -0.204608D+01
      2  -0.584911D+01  0.727688D+01  0.124924D+02 -0.711143D+00  0.739105D+01
      3  -0.324642D-01 -0.566125D+01 -0.761061D+01  0.279757D+00 -0.534497D+01
      4   0.838493D+01  0.594793D+01  0.143721D+02 -0.158457D+01  0.786416D+01
      5   0.110803D+02 -0.309726D+00  0.399264D+00  0.216523D+01 -0.197811D+00
      6   0.521865D+01 -0.162642D+01 -0.133420D+01 -0.221266D+00 -0.521820D+00
                86            87            88            89            90 
      1  -0.472241D+02  0.244190D+01  0.148724D+01  0.123683D+02 -0.784810D+01
      2   0.845910D+02 -0.655374D+01 -0.218851D+01 -0.246346D+02  0.877319D+01
      3  -0.373669D+02  0.411184D+01  0.701267D+00  0.122663D+02 -0.925082D+00
      4   0.209026D+02 -0.211355D+01 -0.306601D+01 -0.616973D+01  0.230807D+01
      5   0.138455D+00  0.627461D+00  0.158067D+01  0.936830D+00 -0.150611D+01
      6  -0.590998D+01  0.816232D+01 -0.532421D+00  0.149473D+02 -0.218970D+01
                91            92            93            94            95 
      1  -0.249802D+01  0.373584D+01  0.552298D+01  0.181148D+01 -0.148922D+02
      2  -0.140974D+01 -0.195900D+01 -0.231455D+01 -0.171995D+01  0.159994D+02
      3   0.390776D+01 -0.177685D+01 -0.320844D+01 -0.915229D-01 -0.110720D+01
      4  -0.334864D+01  0.513000D+01  0.501307D+01  0.129094D+01  0.116684D+01
      5  -0.317562D+01  0.354388D+01  0.691766D+01  0.753617D+00 -0.958154D+00
      6   0.628128D+01 -0.702304D+01 -0.854607D+01 -0.355435D+01  0.115462D+02
                96            97            98            99           100 
      1  -0.866824D+01  0.746251D+01 -0.181463D+02 -0.278151D+02  0.692951D+02
      2   0.643125D+01 -0.155093D+01  0.718473D+01  0.195720D+01 -0.384595D+02
      3   0.223699D+01 -0.591158D+01  0.109615D+02  0.258579D+02 -0.308356D+02
      4  -0.128755D+01  0.345899D+01 -0.187915D+01 -0.212842D+01 -0.102440D+02
      5  -0.108553D+01  0.559956D+01 -0.305387D+01 -0.436031D+01  0.171308D+02
      6   0.133318D+02 -0.816401D+01  0.271785D+02  0.393943D+02 -0.532008D+01
               101           102           103           104           105 
      1   0.196000D+01  0.159502D+02  0.203810D+02  0.416602D+01  0.492566D+01
      2  -0.271439D+01 -0.967177D+01 -0.121290D+02 -0.130366D+01 -0.433716D+01
      3   0.754390D+00 -0.627845D+01 -0.825208D+01 -0.286237D+01 -0.588499D+00
      4   0.788577D+01 -0.205162D+01  0.510058D+01  0.311072D+01  0.280347D+01
      5   0.347706D+00  0.140667D+02  0.493408D+01  0.338653D+01  0.373867D+01
      6  -0.706067D-01 -0.461531D+01 -0.449139D+00 -0.100767D+01  0.773635D+00
               106           107           108           109           110 
      1   0.257871D+02  0.936576D+00  0.120581D+02  0.152097D+02 -0.560287D+01
      2  -0.159895D+02 -0.306941D+01 -0.980076D+01 -0.106502D+02  0.375544D+01
      3  -0.979760D+01  0.213283D+01 -0.225738D+01 -0.455946D+01  0.184743D+01
      4  -0.484837D+01  0.504537D+01 -0.298089D+01 -0.939977D+01  0.618573D+01
      5   0.181087D+02 -0.111926D+01  0.978016D+01 -0.127222D+02  0.803061D+01
      6  -0.448157D+01  0.247723D+01 -0.174110D+01  0.538571D+01 -0.380054D+01
               111           112           113           114           115 
      1  -0.812857D+01 -0.178816D+01 -0.277646D+00  0.162713D+01 -0.158826D+02
      2   0.564468D+01 -0.601332D+00  0.490481D+01  0.753247D-01  0.124850D+02
      3   0.248389D+01  0.238949D+01 -0.462716D+01 -0.170245D+01  0.339761D+01
      4   0.866815D+01  0.114173D+02 -0.176108D+02 -0.101961D+02  0.204919D+02
      5   0.154173D+02  0.685324D+01 -0.925478D+01 -0.993151D+01  0.276470D+02
      6  -0.555969D+01 -0.458663D+01  0.556359D+01  0.100877D+02 -0.123251D+02
               116           117           118           119           120 
      1   0.713693D+01  0.481920D+01 -0.874006D+00 -0.900965D+01  0.408420D+01
      2  -0.580041D+01 -0.142210D+02  0.157779D+01  0.109527D+02 -0.246508D+01
      3  -0.133652D+01  0.940178D+01 -0.703783D+00 -0.194304D+01 -0.161912D+01
      4  -0.202156D+02 -0.212532D+02 -0.164879D+00 -0.199028D+01 -0.269120D-02
      5  -0.232442D+02 -0.456515D+02  0.200531D+01  0.157380D+01  0.146717D+01
      6   0.168939D+02  0.247245D+02 -0.181712D+01 -0.310527D+01  0.119352D+01
               121           122           123           124           125 
      1  -0.739620D+01 -0.208962D+02  0.740371D+01  0.514356D+01  0.100044D+02
      2  -0.639784D-01  0.446208D+02 -0.980746D+01 -0.780792D+00 -0.156792D+02
      3   0.746018D+01 -0.237246D+02  0.240376D+01 -0.436277D+01  0.567482D+01
      4   0.150962D+02 -0.455230D+02  0.711834D+01 -0.361225D+01  0.135954D+02
      5   0.937954D-01  0.103808D+02 -0.837966D+01  0.678550D+01 -0.130266D+02
      6   0.235607D+01 -0.162539D+02  0.964704D+01 -0.369316D+01  0.151922D+02
               126           127           128           129           130 
      1  -0.338564D+01  0.259423D+00 -0.904698D+00 -0.221032D+00  0.627387D+00
      2   0.410681D+01  0.212681D+01  0.527094D+00  0.426570D+00 -0.151898D+01
      3  -0.721173D+00 -0.238623D+01  0.377605D+00 -0.205538D+00  0.891595D+00
      4  -0.102018D+02 -0.617012D+00  0.771491D+01  0.212394D+01  0.675828D+01
      5   0.184727D+01 -0.951851D+00  0.341464D+01  0.361520D+01  0.329070D+01
      6  -0.535855D+01  0.385251D+01 -0.206410D+00  0.890364D+00 -0.313146D+01
               131           132           133           134           135 
      1  -0.219377D+02 -0.104414D+02  0.386065D+00 -0.900840D+01 -0.102000D+02
      2   0.261871D+02  0.816541D+01  0.463874D+00  0.629323D+01  0.206148D+01
      3  -0.424943D+01  0.227602D+01 -0.849939D+00  0.271517D+01  0.813856D+01
      4  -0.143410D+01 -0.126758D+01  0.184813D+01 -0.124997D+01  0.334636D+00
      5  -0.208957D+01 -0.107541D+01  0.286373D+01 -0.795596D+00 -0.209073D+01
      6   0.251833D+02  0.162449D+02 -0.962459D+00  0.151109D+02  0.114736D+02
               136           137           138           139           140 
      1   0.582835D+01  0.613162D+01  0.113310D+02  0.910280D+01  0.130972D+02
      2   0.154160D+02 -0.501383D+01 -0.106690D+02 -0.100978D+02 -0.179196D+02
      3  -0.212443D+02 -0.111779D+01 -0.662002D+00  0.994990D+00  0.482238D+01
      4   0.926976D+01  0.279756D+01  0.251393D+01  0.461416D+00 -0.152373D+02
      5   0.129843D+02 -0.742979D+01 -0.203276D+02 -0.113871D+02  0.610393D+01
      6  -0.505713D+01  0.235628D+01  0.380012D+01  0.509170D+01  0.267639D+02
               141           142           143           144           145 
      1  -0.189359D+01  0.973978D+01  0.170835D+01 -0.143728D+02 -0.171564D+02
      2   0.160962D+02 -0.871615D+01  0.928838D+01  0.182790D+01  0.139671D+02
      3  -0.142026D+02 -0.102362D+01 -0.109967D+02  0.125449D+02  0.318925D+01
      4   0.699100D+01  0.398422D+01  0.469829D+01  0.136621D+01  0.204538D+02
      5   0.854503D+01 -0.201573D+02  0.443756D+01  0.362856D+01  0.244242D+02
      6  -0.918717D+01  0.113699D+01 -0.306653D+01 -0.113288D+02  0.704558D+01
               146           147           148           149           150 
      1   0.169447D+02  0.230068D+02  0.280821D+02  0.111734D+02 -0.295089D+01
      2  -0.101419D+02 -0.105881D+02 -0.208124D+02 -0.264935D+02  0.343394D+01
      3  -0.680288D+01 -0.124187D+02 -0.726974D+01  0.153201D+02 -0.483041D+00
      4   0.237390D+01  0.385159D+01 -0.469641D+01 -0.332523D+02  0.642070D+01
      5   0.142869D+01 -0.931253D+01 -0.123800D+01  0.559252D+01  0.958007D+01
      6   0.952434D+00 -0.183410D+01  0.321119D+00 -0.780627D+00  0.270024D+01
               151           152           153           154           155 
      1   0.288287D+02 -0.180189D+01 -0.128528D+02  0.216067D+02 -0.860905D+01
      2  -0.119491D+02  0.289195D+01  0.144919D+02  0.292312D+00 -0.776035D+01
      3  -0.168796D+02 -0.109006D+01 -0.163903D+01 -0.218990D+02  0.163694D+02
      4   0.309052D+01  0.691167D+01  0.545229D+01 -0.335454D+02  0.286918D+02
      5  -0.147140D+02  0.726652D+01 -0.238215D+02  0.285806D+01 -0.263065D+01
      6  -0.382156D+01  0.366492D+01 -0.763590D+01 -0.344595D+01  0.362236D+01
               156           157           158           159           160 
      1  -0.607461D+00 -0.372455D+01 -0.185161D+00  0.315164D-01 -0.612701D+00
      2   0.104045D+01 -0.941443D+01  0.169464D+02  0.811580D+00  0.554749D+00
      3  -0.432994D+00  0.131390D+02 -0.167612D+02 -0.843096D+00  0.579519D-01
      4  -0.105898D+01  0.235911D+02 -0.256050D+02  0.233588D+00 -0.341113D+00
      5   0.536331D+01 -0.185754D+01  0.136630D+01 -0.206022D+01  0.579547D+01
      6  -0.294300D+01  0.270138D+01 -0.321782D+01  0.480154D+01 -0.387584D+01
               161           162           163           164           165 
      1   0.407386D-01  0.130584D+00  0.240720D+01  0.133872D+01 -0.478077D+01
      2   0.152156D+01  0.577714D+00 -0.135389D+02 -0.187725D+01 -0.149006D+02
      3  -0.156230D+01 -0.708298D+00  0.111316D+02  0.538526D+00  0.196814D+02
      4  -0.428491D+00 -0.494334D+01 -0.137294D+01  0.365732D+01 -0.243453D+01
      5  -0.398271D+01  0.354091D+00  0.188642D+02  0.514920D+00  0.198927D+02
      6   0.614364D+01 -0.236916D+01 -0.368145D+01  0.264084D+01 -0.445365D+01
               166           167           168           169           170 
      1  -0.131453D+01 -0.669329D+00 -0.180626D+01 -0.300780D+01  0.676444D+00
      2  -0.231698D+01 -0.246072D+01 -0.321610D+01 -0.121890D+02 -0.132784D+01
      3   0.363151D+01  0.313005D+01  0.502236D+01  0.151968D+02  0.651393D+00
      4   0.294894D+01  0.432986D+00  0.157094D+01 -0.144155D+01  0.180337D+01
      5   0.156091D+01  0.344682D+01  0.300899D+01  0.169856D+02  0.166115D+01
      6   0.225637D+01  0.117059D+01  0.536936D+01 -0.197713D+01  0.485473D+01
               171           172           173           174           175 
      1  -0.133284D+02 -0.285204D+01 -0.609033D+01  0.872716D+01 -0.467432D+01
      2  -0.209010D+02 -0.336453D+01  0.103292D+01  0.344639D+01  0.550487D+00
      3   0.342294D+02  0.621657D+01  0.505742D+01 -0.121735D+02  0.412384D+01
      4  -0.179406D+01  0.623375D+01  0.543110D+01 -0.583681D+01  0.479439D+01
      5   0.217532D+02 -0.132252D+02 -0.677806D+01  0.140112D+02 -0.611150D+01
      6  -0.604030D+01 -0.952335D+01 -0.113859D+02  0.130257D+02 -0.869859D+01
               176           177           178           179           180 
      1  -0.886356D+01  0.928521D+01  0.428564D+01  0.690207D+01 -0.123024D+02
      2   0.651506D+01 -0.209383D+00  0.184127D+01  0.441120D+00 -0.665883D+01
      3   0.234850D+01 -0.907583D+01 -0.612691D+01 -0.734319D+01  0.189612D+02
      4   0.414482D+01 -0.397481D+01 -0.251877D+01 -0.291220D+01  0.326368D+01
      5  -0.595184D+01  0.664469D+01  0.946378D+01  0.466970D+01 -0.876049D+01
      6  -0.129603D+02  0.137837D+02  0.670983D+01  0.993011D+01 -0.147508D+02
               181           182           183           184           185 
      1  -0.446445D+01 -0.113000D+00 -0.115101D+02 -0.219775D+01 -0.321668D+01
      2  -0.486925D+01 -0.560868D+00 -0.542459D+01  0.885850D+00  0.181492D+01
      3   0.933369D+01  0.673869D+00  0.169347D+02  0.131190D+01  0.140176D+01
      4  -0.763526D+01 -0.762106D+00 -0.265921D+01 -0.782854D+00  0.231834D+00
      5   0.117697D+02  0.234661D+01  0.636246D+01  0.421517D+01  0.841693D+00
      6   0.196089D+01  0.438017D+01 -0.320857D+01  0.248660D+01 -0.339517D+00
               186           187           188           189           190 
      1  -0.322567D+01 -0.678525D+01 -0.150955D+01 -0.759795D+01 -0.101588D+01
      2  -0.390723D+01 -0.346588D+01 -0.184757D+01 -0.670615D+01  0.693558D+00
      3   0.713290D+01  0.102511D+02  0.335712D+01  0.143041D+02  0.322320D+00
      4  -0.810579D+00 -0.258319D+01  0.604097D-01 -0.263283D+01  0.241523D+01
      5  -0.123201D+01  0.886130D+01  0.454491D+00  0.528135D+01 -0.316075D+01
      6   0.287034D+01 -0.168124D+00  0.324809D+01  0.102446D+01 -0.324246D+01
               191           192           193           194           195 
      1   0.155108D+01 -0.130225D+01  0.176986D+00 -0.214108D+02  0.116962D+02
      2  -0.151387D+00  0.166448D+01  0.206933D+01  0.302018D+02 -0.653279D+01
      3  -0.139969D+01 -0.362232D+00 -0.224632D+01 -0.879106D+01 -0.516338D+01
      4   0.672164D+01 -0.246184D+01  0.850010D+01  0.182068D+02 -0.677814D+01
      5  -0.325930D+01  0.555912D+01 -0.464381D+01 -0.638475D+01  0.537811D+01
      6  -0.188706D+01  0.719281D+00 -0.448414D+01 -0.355938D+02  0.196259D+02
               196           197           198           199           200 
      1  -0.338535D+00  0.517348D+01 -0.465042D+01  0.143826D+02 -0.294477D+01
      2   0.131142D+01 -0.100327D+01  0.118595D+01 -0.202793D+02  0.359550D+01
      3  -0.972889D+00 -0.417022D+01  0.346447D+01  0.589669D+01 -0.650734D+00
      4  -0.763826D+00 -0.217464D+01  0.277386D+01 -0.106314D+01  0.478410D+01
      5   0.383587D+01  0.217889D+01 -0.300326D+01 -0.285865D+02  0.458725D+01
      6   0.100949D+01  0.108135D+02 -0.709210D+01  0.325322D+01 -0.595071D+01
               201           202           203           204           205 
      1  -0.375667D+01 -0.476298D+01 -0.164333D+00 -0.140589D+00 -0.242942D+01
      2   0.170178D+02  0.696363D+01 -0.119124D+01 -0.847747D+01  0.123304D+02
      3  -0.132611D+02 -0.220066D+01  0.135557D+01  0.861806D+01 -0.990102D+01
      4  -0.187760D-01  0.442012D+01 -0.238084D+01 -0.451427D+01 -0.535798D+00
      5   0.265577D+02  0.108473D+02 -0.681426D+01 -0.105526D+02  0.198116D+02
      6  -0.876520D+00 -0.558968D+01  0.193818D+01  0.668095D+01 -0.181168D+01
               206           207           208           209           210 
      1   0.164579D-01 -0.211091D+01  0.779264D+01 -0.251056D+01  0.530778D+01
      2  -0.397146D+01 -0.167852D+02 -0.751106D+01  0.142935D+01 -0.580235D+01
      3   0.395501D+01  0.188961D+02 -0.281582D+00  0.108120D+01  0.494574D+00
      4  -0.266990D+01 -0.113516D+01 -0.134062D+01  0.998784D+00  0.985977D+00
      5  -0.411398D+01 -0.222623D+02  0.751709D+01 -0.538775D+00  0.130218D+02
      6   0.532106D+01  0.227551D+01  0.933762D+00  0.313205D+00  0.200810D+01
               211           212           213           214           215 
      1  -0.710741D+01 -0.116839D+01 -0.778985D+00  0.109445D+02  0.984584D+00
      2   0.462739D+01  0.151036D+01  0.191485D+01 -0.930029D+01  0.165249D+01
      3   0.248002D+01 -0.341971D+00 -0.113586D+01 -0.164421D+01 -0.263707D+01
      4   0.233855D+01  0.147735D+01  0.404259D+01  0.435020D+01  0.661987D+01
      5  -0.176315D+01  0.348668D+01 -0.444425D+01  0.191678D+02 -0.805372D+00
      6   0.787579D+00  0.123433D-01  0.279793D+01  0.485526D+01  0.384656D+01
               216           217           218           219           220 
      1   0.383459D+01  0.628603D+02 -0.689377D+01 -0.155727D+02 -0.226052D+02
      2  -0.167929D+02 -0.340344D+02  0.501030D+01  0.870175D+01  0.131552D+02
      3   0.129584D+02 -0.288260D+02  0.188347D+01  0.687098D+01  0.945004D+01
      4   0.298216D+00 -0.568054D+00  0.819291D+01  0.558388D+00  0.994378D+01
      5   0.373845D+02 -0.158794D+02  0.164203D+01  0.127100D+02  0.476351D+01
      6   0.108112D+02 -0.340724D+01  0.258950D+00  0.274537D+01 -0.600574D-01
               221           222           223           224           225 
      1   0.583061D+01  0.419364D+01 -0.285581D+02  0.145292D+01  0.118507D+02
      2  -0.623717D+00 -0.291810D+01  0.159846D+02 -0.208383D+01 -0.967812D+01
      3  -0.520689D+01 -0.127554D+01  0.125736D+02  0.630910D+00 -0.217261D+01
      4  -0.245881D+01 -0.392106D+01 -0.124191D+01 -0.636604D+01 -0.168006D+01
      5  -0.371402D+01 -0.615738D+01  0.169137D+02 -0.242560D+01 -0.105601D+02
      6   0.369094D+00  0.420904D+00  0.258005D+01  0.632237D+00 -0.110224D+01
               226           227           228           229           230 
      1   0.484650D+01  0.505046D+01 -0.233314D+01  0.590151D+01 -0.123530D+02
      2   0.601474D+00 -0.147376D+01  0.122620D+01  0.599463D+01  0.383831D+02
      3  -0.544797D+01 -0.357670D+01  0.110694D+01 -0.118961D+02 -0.260301D+02
      4   0.499668D+01  0.889474D+01 -0.490645D+00  0.216020D+02  0.482998D+02
      5  -0.213623D+01  0.344156D+00  0.179440D+01  0.124054D+01 -0.113837D+01
      6  -0.496870D+00  0.277263D-01 -0.286601D+00  0.118480D+01  0.344039D+01
               231           232           233           234 
      1   0.113332D+01 -0.478467D+01  0.582844D+00 -0.416508D+00
      2  -0.169345D+01  0.129894D+01 -0.253617D+01  0.160813D+01
      3   0.560127D+00  0.348573D+01  0.195332D+01 -0.119162D+01
      4  -0.112438D+01 -0.245492D+01 -0.405752D+01  0.434000D+01
      5   0.602395D+01  0.441588D+01  0.472089D+01  0.954323D+00
      6   0.651921D+01  0.233874D+01  0.620953D+01 -0.560482D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116507D+03      0.172646D+02      0.192094D+02
   aniso      0.168267D+02      0.249347D+01      0.277436D+01
   xx         0.122840D+03      0.182030D+02      0.202536D+02
   yx        -0.572682D+00     -0.848627D-01     -0.944225D-01
   yy         0.119706D+03      0.177386D+02      0.197368D+02
   zx         0.440514D+00      0.652774D-01      0.726309D-01
   zy         0.482368D+01      0.714796D+00      0.795318D+00
   zz         0.106976D+03      0.158522D+02      0.176379D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116507D+03      0.172646D+02      0.192094D+02
   aniso      0.168267D+02      0.249347D+01      0.277436D+01
   xx         0.118566D+03      0.175697D+02      0.195490D+02
   yx         0.724953D+01      0.107427D+01      0.119529D+01
   yy         0.109953D+03      0.162933D+02      0.181288D+02
   zx        -0.192582D+01     -0.285377D+00     -0.317525D+00
   zy         0.210034D+01      0.311238D+00      0.346299D+00
   zz         0.121002D+03      0.179307D+02      0.199506D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-01-02\Freq\RB3LYP\Gen\C10H16\PIERPA\16-Jul-2021\0\\#P
  B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSym
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 THE ENLIGHTENED ONE, BECAUSE HE SAW MANKIND DROWNING  
 IN THE GREAT SEA OF BIRTH, DEATH, AND SORROW, LONGED TO SAVE 
 THEM, FOR THIS HE WAS MOVED TO PITY.                         
 BECAUSE HE SAW MEN OF THE WORLD STRAYING IN FALSE PATHS, AND 
 NONE TO GUIDE THEM, FOR THIS HE WAS MOVED TO PITY.           
                     ..................                       
 BECAUSE HE SAW THE MEN OF THE WORLD PLOUGHING THEIR FIELDS,  
 SOWING THE SEED, TRAFFICKING, HUCKSTERING, BUYING, SELLING,  
 AND AT THE END WINNOWING NOTHING BUT BITTERNESS,             
 FOR THIS HE WAS MOVED TO PITY......                   
                   BUDAH'S PITY - UPSAKA SILA SUTRA           
 Job cpu time:       0 days  5 hours  1 minutes 42.3 seconds.
 Elapsed time:       0 days  0 hours 38 minutes  8.5 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:48:14 2021.
